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<h3>
Andreas Tille pushed to branch upstream
at <a href="https://salsa.debian.org/med-team/raster3d">Debian Med / raster3d</a>
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<h4>
Commits:
</h4>
<ul>
<li>
<strong><a href="https://salsa.debian.org/med-team/raster3d/-/commit/afa329d2d10ae1c6304a892beea83fba47862b79">afa329d2</a></strong>
<div>
<span>by Andreas Tille</span>
<i>at 2020-09-29T12:44:23+02:00</i>
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<pre class="commit-message" style="white-space: pre-wrap; margin: 0;">New upstream version 3.0-6</pre>
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<h4>11 changed files:</h4>
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<li class="file-stats">
<a href="#1c497fbb3a46b78edf04cc2a2fa33f67e3ffbe2a">
CHANGELOG
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<li class="file-stats">
<a href="#836efb6e25a091dcb4ff8e1dbb2f0be6a5cbf14c">
Makefile
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<li class="file-stats">
<a href="#654163223df29634ae592b8b99ed237160ac141c">
Makefile.package
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<li class="file-stats">
<a href="#69e27356ef629022720d868ab0c0e3394775b6c1">
README
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<li class="file-stats">
<a href="#b33892fbddeffc3368077b4904ad0b3d562a7312">
VERSION
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<li class="file-stats">
<a href="#b5f50ce27d28bedb27962303879fb2f24c79e7da">
VERSION.incl
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<li class="file-stats">
<a href="#002a7efe8486b7d67f2b75b49e6eeb61ed7062c6">
parameters.incl
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<li class="file-stats">
<a href="#5deb3c40ced633d75a4f958e6b038a2d5838f3b6">
parse.f
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<li class="file-stats">
<a href="#da95c610a6afd36e9c515580d413d2544e2c5672">
qinp.f
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<li class="file-stats">
<a href="#4df18062eda0e7da4b0822f33ac8f59284c201f1">
render.f
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<li class="file-stats">
<a href="#b130aa721d5cb81d68221b353a1ae85b6da0f430">
rods.f
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<h4>Changes:</h4>
<li id="1c497fbb3a46b78edf04cc2a2fa33f67e3ffbe2a">
<a href="https://salsa.debian.org/med-team/raster3d/-/commit/afa329d2d10ae1c6304a892beea83fba47862b79#1c497fbb3a46b78edf04cc2a2fa33f67e3ffbe2a"><strong>CHANGELOG</strong></a>
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<pre style="margin: 0;">+<span id="LC1" class="line" lang="plaintext">12-Nov-2019 rods.f: gfortran 8.3 requires decimal point after floating 0</span>
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<td class="diff-line-num new new_line" data-linenumber="2" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
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<pre style="margin: 0;">+<span id="LC2" class="line" lang="plaintext">12-Nov-2019 import into git</span>
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<td class="diff-line-num new_line" data-linenumber="3" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
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<pre style="margin: 0;"> <span id="LC3" class="line" lang="plaintext">21-Jan-2019 Package 3.0-4</span>
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2
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<td class="diff-line-num new_line" data-linenumber="4" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
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<pre style="margin: 0;"> <span id="LC4" class="line" lang="plaintext">21-Jan-2019 suppress compiler warnings for unused variables</span>
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3
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<td class="diff-line-num new_line" data-linenumber="5" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
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<pre style="margin: 0;"> <span id="LC5" class="line" lang="plaintext">29-Mar-2014 Package (somewhat belatedly) 3.0-3</span>
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<li id="836efb6e25a091dcb4ff8e1dbb2f0be6a5cbf14c">
<a href="https://salsa.debian.org/med-team/raster3d/-/commit/afa329d2d10ae1c6304a892beea83fba47862b79#836efb6e25a091dcb4ff8e1dbb2f0be6a5cbf14c"><strong>Makefile</strong></a>
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<td class="diff-line-num unfold js-unfold old_line" data-linenumber="53" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="53" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -53,13 +53,13 @@ linux:</td>
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<pre style="margin: 0;"> <span id="LC53" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo </span>CC <span class="o" style="font-weight: 600;">=</span> gcc <span class="o" style="font-weight: 600;">>></span> Makefile.incl</span>
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<td class="diff-line-num new_line" data-linenumber="54" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
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<pre style="margin: 0;"> <span id="LC54" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo </span>CFLAGS <span class="o" style="font-weight: 600;">=</span> <span class="nt" style="color: #000080;">-g</span> <span class="nt" style="color: #000080;">-Wall</span> <span class="nt" style="color: #000080;">-Dgfortran</span> <span class="o" style="font-weight: 600;">>></span> Makefile.incl</span>
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<td class="diff-line-num new_line" data-linenumber="55" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
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<pre style="margin: 0;"> <span id="LC55" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo </span>FC <span class="o" style="font-weight: 600;">=</span> gfortran <span class="o" style="font-weight: 600;">>></span> Makefile.incl</span>
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<td class="diff-line-num old old_line" data-linenumber="56" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
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<td class="diff-line-num new_line old" data-linenumber="56" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
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<pre style="margin: 0;">-<span id="LC56" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo </span>FFLAGS <span class="o" style="font-weight: 600;">=</span> <span class="nt" style="color: #000080;">-g</span> <span class="nt" style="color: #000080;">-w</span> <span class="nt" style="color: #000080;">-O3</span> <span class="nt" style="color: #000080;">-Wtabs</span> <span class="nt" style="color: #000080;">-ffixed-line-length-132</span> <span class="o" style="font-weight: 600;">>></span> Makefile.incl</span>
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<td class="diff-line-num new old_line" data-linenumber="57" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
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<td class="diff-line-num new new_line" data-linenumber="56" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
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<pre style="margin: 0;">+<span id="LC56" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo </span>FFLAGS <span class="o" style="font-weight: 600;">=</span> <span class="nt" style="color: #000080;">-g</span> <span class="nt" style="color: #000080;">-w</span> <span class="nt" style="color: #000080;">-O3</span> <span class="nt" style="color: #000080;">-W<span class="idiff left right">no-</span>tabs</span> <span class="nt" style="color: #000080;">-ffixed-line-length-132</span> <span class="o" style="font-weight: 600;">>></span> Makefile.incl</span>
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<td class="diff-line-num old_line" data-linenumber="57" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
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<pre style="margin: 0;"> <span id="LC57" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo </span>RM <span class="o" style="font-weight: 600;">=</span> /bin/rm <span class="nt" style="color: #000080;">-f</span> <span class="o" style="font-weight: 600;">>></span> Makefile.incl</span>
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<pre style="margin: 0;"> <span id="LC58" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo </span>OSDEFS <span class="o" style="font-weight: 600;">=</span> <span class="nt" style="color: #000080;">-DLINUX</span> <span class="nt" style="color: #000080;">-DNETWORKBYTEORDER</span> <span class="o" style="font-weight: 600;">>></span> Makefile.incl</span>
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<pre style="margin: 0;"> <span id="LC59" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo </span>include Makefile.package <span class="o" style="font-weight: 600;">>></span> Makefile.incl</span>
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<pre style="margin: 0;"> <span id="LC60" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo</span> <span class="o" style="font-weight: 600;">>></span> Makefile.incl</span>
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<pre style="margin: 0;"> <span id="LC61" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo </span>qinp.o: qinp.f <span class="o" style="font-weight: 600;">>></span> Makefile.incl</span>
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<pre style="margin: 0;">-<span id="LC62" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo</span> <span class="s2" style="color: #d14;">" </span><span class="se" style="color: #d14;">\$</span><span class="nv" style="color: #008080;">$(FC)</span><span class="s2" style="color: #d14;"> -g -O0 -Wall -Wtabs -c -o qinp.o qinp.f"</span> <span class="o" style="font-weight: 600;">>></span> Makefile.incl</span>
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<pre style="margin: 0;">+<span id="LC62" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo</span> <span class="s2" style="color: #d14;">" </span><span class="se" style="color: #d14;">\$</span><span class="nv" style="color: #008080;">$(FC)</span><span class="s2" style="color: #d14;"> -g -O0 -Wall -W<span class="idiff left right">no-</span>tabs -c -o qinp.o qinp.f"</span> <span class="o" style="font-weight: 600;">>></span> Makefile.incl</span>
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<pre style="margin: 0;"> <span id="LC63" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo</span> <span class="o" style="font-weight: 600;">>></span> Makefile.incl</span>
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<pre style="margin: 0;"> <span id="LC64" class="line" lang="make"></span>
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<pre style="margin: 0;"> <span id="LC65" class="line" lang="make"><span class="nl">linux-ifort</span><span class="o" style="font-weight: 600;">:</span></span>
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<a href="https://salsa.debian.org/med-team/raster3d/-/commit/afa329d2d10ae1c6304a892beea83fba47862b79#654163223df29634ae592b8b99ed237160ac141c"><strong>Makefile.package</strong></a>
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<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -28,7 +28,7 @@ tar: ../$(TARFILE)</td>
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<pre style="margin: 0;"> <span id="LC28" class="line" lang="make"> <span class="nb" style="color: #0086b3;">touch </span>Makefile.incl</span>
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<pre style="margin: 0;"> <span id="LC29" class="line" lang="make"> <span class="p">@</span><span class="nb" style="color: #0086b3;">echo </span>making ../<span class="nv" style="color: #008080;">$(TARFILE)</span></span>
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<pre style="margin: 0;"> <span id="LC30" class="line" lang="make"> <span class="nb" style="color: #0086b3;">cd</span> <span class="sb" style="color: #d14;">`</span><span class="nb" style="color: #0086b3;">pwd</span><span class="sb" style="color: #d14;">`</span></span>
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<pre style="margin: 0;">-<span id="LC31" class="line" lang="make"> <span class="o" style="font-weight: 600;">(</span><span class="nb" style="color: #0086b3;">cd</span> ..<span class="p">;</span> gtar <span class="nt" style="color: #000080;">-czvf</span> <span class="nv" style="color: #008080;">$(TARFILE)</span> Raster3D_<span class="nv" style="color: #008080;">$(VERSION)</span>/.<span class="o" style="font-weight: 600;">)</span></span>
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<pre style="margin: 0;">+<span id="LC31" class="line" lang="make"> <span class="o" style="font-weight: 600;">(</span><span class="nb" style="color: #0086b3;">cd</span> ..<span class="p">;</span> gtar <span class="nt" style="color: #000080;">-<span class="idiff left">-exclude-vcs</span></span><span class="idiff"> </span><span class="nt" style="color: #000080;"><span class="idiff">--exclude-vcs-ignores</span></span><span class="idiff"> </span><span class="nt" style="color: #000080;"><span class="idiff right">-</span>czvf</span> <span class="nv" style="color: #008080;">$(TARFILE)</span> Raster3D_<span class="nv" style="color: #008080;">$(VERSION)</span>/.<span class="o" style="font-weight: 600;">)</span></span>
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<pre style="margin: 0;"> <span id="LC32" class="line" lang="make"></span>
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<pre style="margin: 0;"> <span id="LC33" class="line" lang="make"><span class="c" style="color: #998; font-style: italic;">#</span></span>
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<pre style="margin: 0;"> <span id="LC34" class="line" lang="make"><span class="c" style="color: #998; font-style: italic;"># Build an RPM package</span></span>
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<a href="https://salsa.debian.org/med-team/raster3d/-/commit/afa329d2d10ae1c6304a892beea83fba47862b79#69e27356ef629022720d868ab0c0e3394775b6c1"><strong>README</strong></a>
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1
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<pre style="margin: 0;">-<span id="LC1" class="line" lang="plaintext">Most recent change: <span class="idiff left right">21-Jan-2019</span></span>
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<pre style="margin: 0;">+<span id="LC1" class="line" lang="plaintext">Most recent change: <span class="idiff left right">06-May-2020</span></span>
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2
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<pre style="margin: 0;"> <span id="LC2" class="line" lang="plaintext"></span>
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<pre style="margin: 0;">-<span id="LC3" class="line" lang="plaintext">The file Raster3D_3.0-<span class="idiff left right">4</span>.tar.gz contains the full source distribution for</span>
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<pre style="margin: 0;">+<span id="LC3" class="line" lang="plaintext">The file Raster3D_3.0-<span class="idiff left right">6</span>.tar.gz contains the full source distribution for</span>
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4
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<pre style="margin: 0;"> <span id="LC4" class="line" lang="plaintext">version 3.0 of Raster3D.</span>
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5
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<pre style="margin: 0;"> <span id="LC5" class="line" lang="plaintext"></span>
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6
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<pre style="margin: 0;"> <span id="LC6" class="line" lang="plaintext"> See CHANGELOG for a history of changes to the package.</span>
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7
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<pre style="margin: 0;">-<span id="LC7" class="line" lang="plaintext"> Basically nothing has changed since verison 3.0-3 (2014) except <span class="idiff left right">that I </span></span>
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8
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<pre style="margin: 0;">-<span id="LC8" class="line" lang="plaintext"> <span class="idiff left right">tried to suppress some harmless compiler warning</span>s.</span>
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<pre style="margin: 0;">+<span id="LC7" class="line" lang="plaintext"> Basically nothing has changed since verison 3.0-3 (2014) except <span class="idiff left right">for</span></span>
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<pre style="margin: 0;">+<span id="LC8" class="line" lang="plaintext"> <span class="idiff left right">minor tweaks to accommodate newer Fortran version</span>s.</span>
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<pre style="margin: 0;"> <span id="LC9" class="line" lang="plaintext"></span>
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<pre style="margin: 0;">-<span id="LC10" class="line" lang="plaintext"> Note: The programs from Raster3D version 3.0-3 are included in the</span>
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<pre style="margin: 0;">-<span id="LC11" class="line" lang="plaintext"> CCP4 crystallography suite. You might find it easier to use that</span>
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<pre style="margin: 0;">-<span id="LC12" class="line" lang="plaintext"> pre-built version.</span>
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<pre style="margin: 0;">+<span id="LC10" class="line" lang="plaintext"> Note: The programs from Raster3D are included in the CCP4 crystallography</span>
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<pre style="margin: 0;">+<span id="LC11" class="line" lang="plaintext"> suite. You might find it easier to use that pre-built version.</span>
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<pre style="margin: 0;"> <span id="LC12" class="line" lang="plaintext"></span>
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<pre style="margin: 0;"> <span id="LC13" class="line" lang="plaintext">- In a nutshell, the installation procedure is:</span>
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<pre style="margin: 0;"> <span id="LC14" class="line" lang="plaintext"></span>
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<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -24,9 +23,10 @@ version 3.0 of Raster3D.</td>
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<pre style="margin: 0;"> <span id="LC23" class="line" lang="plaintext"> 7) (optional)</span>
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<pre style="margin: 0;"> <span id="LC24" class="line" lang="plaintext"> modify ImageMagick delegates file so that ImageMagick recognizes</span>
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<pre style="margin: 0;"> <span id="LC25" class="line" lang="plaintext"> *.r3d files by default. On my systems this file is in</span>
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<pre style="margin: 0;">-<span id="LC27" class="line" lang="plaintext"> <span class="idiff left right"> /usr/lib/ImageMagick-6.3.2</span>/config/delegates.xml</span>
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<pre style="margin: 0;">+<span id="LC26" class="line" lang="plaintext"> <span class="idiff left right"> /etc/ImageMagick-6</span>/config/delegates.xml</span>
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<pre style="margin: 0;"> <span id="LC27" class="line" lang="plaintext"> Add the following line</span>
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<pre style="margin: 0;">-<span id="LC29" class="line" lang="plaintext"> <delegate decode="r3d" command='"render" < "%i" > "%o"' /></span>
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<pre style="margin: 0;">+<span id="LC28" class="line" lang="plaintext"> <delegate decode="r3d" command=""render" < "%i" > "%o""/></span>
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<pre style="margin: 0;">+<span id="LC29" class="line" lang="plaintext"></span>
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<pre style="margin: 0;"> <span id="LC30" class="line" lang="plaintext"></span>
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<pre style="margin: 0;"> <span id="LC31" class="line" lang="plaintext">- Changes in Version 3.0</span>
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<pre style="margin: 0;"> <span id="LC32" class="line" lang="plaintext"> + new code in rastep to support Skittles validation (introduced in 2.9)</span>
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<a href="https://salsa.debian.org/med-team/raster3d/-/commit/afa329d2d10ae1c6304a892beea83fba47862b79#b33892fbddeffc3368077b4904ad0b3d562a7312"><strong>VERSION</strong></a>
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1
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<pre style="margin: 0;">-<span id="LC1" class="line" lang="plaintext">VERSION = "3.0-<span class="idiff left right">4</span>"</span></pre>
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<pre style="margin: 0;">+<span id="LC1" class="line" lang="plaintext">VERSION = "3.0-<span class="idiff left right">6</span>"</span></pre>
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<a href="https://salsa.debian.org/med-team/raster3d/-/commit/afa329d2d10ae1c6304a892beea83fba47862b79#b5f50ce27d28bedb27962303879fb2f24c79e7da"><strong>VERSION.incl</strong></a>
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<pre style="margin: 0;"> <span id="LC1" class="line" lang="plaintext"> CHARACTER*8 VERSION</span>
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<pre style="margin: 0;">-<span id="LC2" class="line" lang="plaintext"> PARAMETER (VERSION='V3.0.<span class="idiff left right">4</span> ')</span></pre>
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<pre style="margin: 0;">+<span id="LC2" class="line" lang="plaintext"> PARAMETER (VERSION='V3.0.<span class="idiff left right">5</span> ')</span></pre>
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<a href="https://salsa.debian.org/med-team/raster3d/-/commit/afa329d2d10ae1c6304a892beea83fba47862b79#002a7efe8486b7d67f2b75b49e6eeb61ed7062c6"><strong>parameters.incl</strong></a>
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<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -60,7 +60,7 @@</td>
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<pre style="margin: 0;"> <span id="LC60" class="line" lang="plaintext">* $$$$$$$$$$$$$$$$$ END OF LIMITS $$$$$$$$$$$$$$$$$$$$$$$</span>
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<pre style="margin: 0;"> <span id="LC61" class="line" lang="plaintext">*</span>
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<pre style="margin: 0;"> <span id="LC62" class="line" lang="plaintext">* Other possibly platform-dependent stuff</span>
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<pre style="margin: 0;">-<span id="LC63" class="line" lang="plaintext"> REAL <span class="idiff left right"> </span>HUGE</span>
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<pre style="margin: 0;">+<span id="LC63" class="line" lang="plaintext"> REAL <span class="idiff left right"> </span>HUGE</span>
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<pre style="margin: 0;"> <span id="LC64" class="line" lang="plaintext"> PARAMETER (HUGE = 1.0e37)</span>
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<pre style="margin: 0;"> <span id="LC65" class="line" lang="plaintext">* Slop is related to the accuracy (in pixels) to which we must predict</span>
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<pre style="margin: 0;"> <span id="LC66" class="line" lang="plaintext">* shadow edges. Too low a value causes whole triangles to be spuriously</span>
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<pre style="margin: 0;"> <span id="LC74" class="line" lang="plaintext"> PARAMETER (EDGESLOP = 0.25)</span>
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<pre style="margin: 0;"> <span id="LC75" class="line" lang="plaintext">* Ribbonslop is a kludge so that distortion due to perspective doesn't </span>
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<pre style="margin: 0;"> <span id="LC76" class="line" lang="plaintext">* prevent us from identifying ribbon triangles</span>
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<pre style="margin: 0;">-<span id="LC77" class="line" lang="plaintext"> REAL<span class="idiff left right"> </span> RIBBONSLOP</span>
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<pre style="margin: 0;">+<span id="LC77" class="line" lang="plaintext"> REAL<span class="idiff left right"> </span> RIBBONSLOP</span>
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<pre style="margin: 0;"> <span id="LC78" class="line" lang="plaintext"> PARAMETER (RIBBONSLOP = 0.001)</span></pre>
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<a href="https://salsa.debian.org/med-team/raster3d/-/commit/afa329d2d10ae1c6304a892beea83fba47862b79#5deb3c40ced633d75a4f958e6b038a2d5838f3b6"><strong>parse.f</strong></a>
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<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -115,8 +115,8 @@ c</td>
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<pre style="margin: 0;"> <span id="LC115" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">else</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="w" style="color: #bbb;"> </span><span class="p">(</span><span class="n" style="color: #333;">option</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="mi" style="color: #099;">3</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'-bg'</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">then</span></span>
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<pre style="margin: 0;"> <span id="LC116" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">iarg</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">=</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">iarg</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">+</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1</span></span>
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<pre style="margin: 0;"> <span id="LC117" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">call</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">getarg</span><span class="p">(</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">iarg</span><span class="p">,</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">option</span><span class="w" style="color: #bbb;"> </span><span class="p">)</span></span>
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118
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<pre style="margin: 0;">-<span id="LC118" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="w" style="color: #bbb;"> </span><span class="p">(</span><span class="n" style="color: #333;">option</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="mi" style="color: #099;">5</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'white'</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xbg</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">=</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;"><span class="idiff left right">X</span></span><span class="s1" style="color: #d14;">'FFFFFF'</span></span>
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119
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<td class="diff-line-num new_line old" data-linenumber="118" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
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<pre style="margin: 0;">-<span id="LC119" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="w" style="color: #bbb;"> </span><span class="p">(</span><span class="n" style="color: #333;">option</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="mi" style="color: #099;">5</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'black'</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xbg</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">=</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;"><span class="idiff left right">X</span></span><span class="s1" style="color: #d14;">'000000'</span></span>
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118
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<pre style="margin: 0;">+<span id="LC118" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="w" style="color: #bbb;"> </span><span class="p">(</span><span class="n" style="color: #333;">option</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="mi" style="color: #099;">5</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'white'</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xbg</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">=</span><span class="w" style="color: #bbb;"> </span><span class="mh" style="color: #099;"><span class="idiff left right">Z</span>'FFFFFF'</span></span>
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<td class="diff-line-num new new_line" data-linenumber="119" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
119
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<pre style="margin: 0;">+<span id="LC119" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="w" style="color: #bbb;"> </span><span class="p">(</span><span class="n" style="color: #333;">option</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="mi" style="color: #099;">5</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'black'</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xbg</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">=</span><span class="w" style="color: #bbb;"> </span><span class="mh" style="color: #099;"><span class="idiff left right">Z</span>'000000'</span></span>
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120
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120
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<pre style="margin: 0;"> <span id="LC120" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="w" style="color: #bbb;"> </span><span class="p">(</span><span class="n" style="color: #333;">option</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'#'</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">then</span></span>
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121
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121
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<pre style="margin: 0;"> <span id="LC121" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="w" style="color: #bbb;"> </span><span class="p">(</span><span class="n" style="color: #333;">option</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">:</span><span class="mi" style="color: #099;">7</span><span class="p">),</span><span class="s1" style="color: #d14;">'(1Z6)'</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xbg</span></span>
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122
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122
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<pre style="margin: 0;"> <span id="LC122" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="w" style="color: #bbb;"> </span><span class="p">(</span><span class="n" style="color: #333;">verbose</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">then</span></span>
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<td class="diff-line-num unfold js-unfold new_line" data-linenumber="49" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -49,7 +49,7 @@ CC</td>
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49
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<pre style="margin: 0;"> <span id="LC49" class="line" lang="fortran"><span class="s1" style="color: #d14;">C</span></span>
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50
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<pre style="margin: 0;"> <span id="LC50" class="line" lang="fortran"><span class="s1" style="color: #d14;"> function qinp( buf, detail, shadow, sdtail )</span></span>
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51
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51
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<pre style="margin: 0;"> <span id="LC51" class="line" lang="fortran"><span class="s1" style="color: #d14;">* Use MODULE LISTS not COMMON /LISTS/ for dynamic allocation</span></span>
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52
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<pre style="margin: 0;">-<span id="LC52" class="line" lang="fortran"><span class="s1" style="color: #d14;"><span class="idiff left right"> </span>USE LISTS</span></span>
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52
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<pre style="margin: 0;">+<span id="LC52" class="line" lang="fortran"><span class="s1" style="color: #d14;"><span class="idiff left right"> </span>USE LISTS</span></span>
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53
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53
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<pre style="margin: 0;"> <span id="LC53" class="line" lang="fortran"><span class="s1" style="color: #d14;">*</span></span>
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54
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54
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<pre style="margin: 0;"> <span id="LC54" class="line" lang="fortran"><span class="s1" style="color: #d14;"> IMPLICIT NONE</span></span>
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55
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55
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<pre style="margin: 0;"> <span id="LC55" class="line" lang="fortran"><span class="s1" style="color: #d14;"> logical qinp</span></span>
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<td class="diff-line-num unfold js-unfold new_line" data-linenumber="58" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -58,10 +58,10 @@ C</td>
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58
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58
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<pre style="margin: 0;"> <span id="LC58" class="line" lang="fortran"><span class="s1" style="color: #d14;"> logical shadow</span></span>
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59
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59
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<pre style="margin: 0;"> <span id="LC59" class="line" lang="fortran"><span class="s1" style="color: #d14;">*</span></span>
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60
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60
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<pre style="margin: 0;"> <span id="LC60" class="line" lang="fortran"><span class="s1" style="color: #d14;"> real QQ(4,4), QP(4,4), QT(4,4)</span></span>
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61
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<pre style="margin: 0;">-<span id="LC61" class="line" lang="fortran"><span class="s1" style="color: #d14;"> real <span class="idiff left right"> </span>xq, yq, zq, radlim, red, grn, blu</span></span>
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61
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<pre style="margin: 0;">+<span id="LC61" class="line" lang="fortran"><span class="s1" style="color: #d14;"> real <span class="idiff left right"> </span>xq, yq, zq, radlim, red, grn, blu</span></span>
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62
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62
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<pre style="margin: 0;"> <span id="LC62" class="line" lang="fortran"><span class="s1" style="color: #d14;"> real xc, yc, zc, rc</span></span>
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63
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63
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<pre style="margin: 0;"> <span id="LC63" class="line" lang="fortran"><span class="s1" style="color: #d14;"> real xr, yr, zr, xs, ys, zs, rs</span></span>
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64
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<pre style="margin: 0;">-<span id="LC64" class="line" lang="fortran"><span class="s1" style="color: #d14;"> real<span class="idiff left right"> </span>pfac</span></span>
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<pre style="margin: 0;">+<span id="LC64" class="line" lang="fortran"><span class="s1" style="color: #d14;"> real<span class="idiff left right"> </span>pfac</span></span>
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<pre style="margin: 0;"> <span id="LC65" class="line" lang="fortran"><span class="s1" style="color: #d14;">*</span></span>
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66
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<pre style="margin: 0;"> <span id="LC66" class="line" lang="fortran"><span class="s1" style="color: #d14;"> integer ix,iy,ixlo,ixhi,iylo,iyhi</span></span>
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67
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<pre style="margin: 0;"> <span id="LC67" class="line" lang="fortran"><span class="s1" style="color: #d14;">c VOLATILE ix,iy,ixlo,ixhi,iylo,iyhi</span></span>
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<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -284,4 +284,3 @@ CD write (noise,191) 'QP ',((QP(i,j),j=1,4),i=1,4)</td>
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284
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284
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<pre style="margin: 0;"> <span id="LC284" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span></span>
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285
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285
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<pre style="margin: 0;"> <span id="LC285" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">return</span></span>
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286
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286
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<pre style="margin: 0;"> <span id="LC286" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">end</span></span></pre>
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287
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<pre style="margin: 0;">-<span id="LC287" class="line" lang="fortran"></span></pre>
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<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -968,9 +968,9 @@ C Header records and picture title</td>
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968
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<pre style="margin: 0;"> <span id="LC968" class="line" lang="fortran"><span class="s1" style="color: #d14;">* Get background colour</span></span>
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969
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969
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<pre style="margin: 0;"> <span id="LC969" class="line" lang="fortran"><span class="s1" style="color: #d14;"> READ (INPUT,*,ERR=104) BKGND</span></span>
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970
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970
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<pre style="margin: 0;"> <span id="LC970" class="line" lang="fortran"><span class="s1" style="color: #d14;"> if (XBG.NE.0) then</span></span>
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971
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<pre style="margin: 0;">-<span id="LC971" class="line" lang="fortran"><span class="s1" style="color: #d14;"> BKGND(3) = iand(XBG,<span class="idiff left right">X</span>'</span><span class="mi" style="color: #099;">00</span><span class="n" style="color: #333;">FF</span><span class="s1" style="color: #d14;">')</span></span>
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972
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<pre style="margin: 0;">-<span id="LC972" class="line" lang="fortran"><span class="s1" style="color: #d14;"> BKGND(2) = iand(XBG,<span class="idiff left right">X</span>'</span><span class="n" style="color: #333;">FF00</span><span class="s1" style="color: #d14;">')/256</span></span>
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973
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<pre style="margin: 0;">-<span id="LC973" class="line" lang="fortran"><span class="s1" style="color: #d14;"> BKGND(1) = iand(XBG,<span class="idiff left right">X</span>'</span><span class="n" style="color: #333;">FF0000</span><span class="s1" style="color: #d14;">')/65536</span></span>
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<pre style="margin: 0;">+<span id="LC971" class="line" lang="fortran"><span class="s1" style="color: #d14;"> BKGND(3) = iand(XBG,<span class="idiff left right">Z</span>'</span><span class="mi" style="color: #099;">00</span><span class="n" style="color: #333;">FF</span><span class="s1" style="color: #d14;">')</span></span>
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<pre style="margin: 0;">+<span id="LC972" class="line" lang="fortran"><span class="s1" style="color: #d14;"> BKGND(2) = iand(XBG,<span class="idiff left right">Z</span>'</span><span class="n" style="color: #333;">FF00</span><span class="s1" style="color: #d14;">')/256</span></span>
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<pre style="margin: 0;">+<span id="LC973" class="line" lang="fortran"><span class="s1" style="color: #d14;"> BKGND(1) = iand(XBG,<span class="idiff left right">Z</span>'</span><span class="n" style="color: #333;">FF0000</span><span class="s1" style="color: #d14;">')/65536</span></span>
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<pre style="margin: 0;"> <span id="LC974" class="line" lang="fortran"><span class="s1" style="color: #d14;"> BKGND(3) = BKGND(3) / 255.</span></span>
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<pre style="margin: 0;"> <span id="LC975" class="line" lang="fortran"><span class="s1" style="color: #d14;"> BKGND(2) = BKGND(2) / 255.</span></span>
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<pre style="margin: 0;"> <span id="LC976" class="line" lang="fortran"><span class="s1" style="color: #d14;"> BKGND(1) = BKGND(1) / 255.</span></span>
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<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -17,6 +17,8 @@</td>
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<pre style="margin: 0;"> <span id="LC17" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">-</span><span class="n" style="color: #333;">brad</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">XX</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">to</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">set</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">ball</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">radius</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">as</span><span class="w" style="color: #bbb;"> </span><span class="nb" style="color: #0086b3;">fraction</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">of</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Van</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">der</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Waals</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">radius</span></span>
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<pre style="margin: 0;"> <span id="LC18" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">EAM</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Jul</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1999</span></span>
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<pre style="margin: 0;"> <span id="LC19" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">don</span><span class="s1" style="color: #d14;">'t draw bonds across alternate chain locations</span></span>
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<pre style="margin: 0;">+<span id="LC20" class="line" lang="fortran"><span class="s1" style="color: #d14;">* EAM Nov 2019</span></span>
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<pre style="margin: 0;">+<span id="LC21" class="line" lang="fortran"><span class="s1" style="color: #d14;">* new gfortran requires a decimal point in floating constants</span></span>
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<pre style="margin: 0;"> <span id="LC22" class="line" lang="fortran"><span class="s1" style="color: #d14;">*</span></span>
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23
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<pre style="margin: 0;"> <span id="LC23" class="line" lang="fortran"><span class="s1" style="color: #d14;">*------------------------------------------------------------------------------</span></span>
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<pre style="margin: 0;"> <span id="LC24" class="line" lang="fortran"><span class="s1" style="color: #d14;"> INCLUDE '</span><span class="n" style="color: #333;">VERSION</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">.</span><span class="n" style="color: #333;">incl</span><span class="s1" style="color: #d14;">'</span></span>
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<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -343,7 +345,7 @@ c</td>
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<pre style="margin: 0;"> <span id="LC345" class="line" lang="fortran"><span class="s1" style="color: #d14;"> write(output,141)</span></span>
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<pre style="margin: 0;"> <span id="LC346" class="line" lang="fortran"><span class="s1" style="color: #d14;"> 1 RGB(1,ICOL),RGB(2,ICOL),RGB(3,ICOL),</span></span>
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<pre style="margin: 0;"> <span id="LC347" class="line" lang="fortran"><span class="s1" style="color: #d14;"> 2 RGB(1,JCOL),RGB(2,JCOL),RGB(3,JCOL),</span></span>
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<pre style="margin: 0;">-<span id="LC346" class="line" lang="fortran"><span class="s1" style="color: #d14;"> 3 0<span class="idiff left right">, 0, </span>0</span></span>
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<pre style="margin: 0;">+<span id="LC348" class="line" lang="fortran"><span class="s1" style="color: #d14;"> 3 0<span class="idiff left right">.0, 0.0, 0.</span>0</span></span>
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349
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<pre style="margin: 0;"> <span id="LC349" class="line" lang="fortran"><span class="s1" style="color: #d14;"> ELSE</span></span>
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348
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<pre style="margin: 0;"> <span id="LC350" class="line" lang="fortran"><span class="s1" style="color: #d14;"> DO 136 K=1,3</span></span>
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<pre style="margin: 0;"> <span id="LC351" class="line" lang="fortran"><span class="s1" style="color: #d14;">136 CEN(K) = (SPAM(K,IATM)+SPAM(K,JATM))/2</span></span>
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