Merge branch 'integration' into weighted-balancing (0f7873c0) · Commits · 郑智淋 / lammps

doc/Makefile

+3 −1

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		@@ -43,6 +43,8 @@ html: $(OBJECTS)
		sphinx-build -j 8 -b html -c utils/sphinx-config -d $(BUILDDIR)/doctrees $(RSTDIR) html ;\
		deactivate ;\
		)
		-rm html/searchindex.js
		-rm -rf html/_sources
		@echo "Build finished. The HTML pages are in doc/html."

		pdf: utils/txt2html/txt2html.exe

doc/html/.gitignore

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		.buildinfo
		objects.inv
		searchindex.js
		_sources

doc/html/Section_howto.html

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		@@ -2333,7 +2333,7 @@ velocity:</p>
		</ol>
		<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">cc1</span> <span class="nb">all</span> <span class="n">chunk</span><span class="o">/</span><span class="n">atom</span> <span class="n">molecule</span>
		<span class="n">compute</span> <span class="n">myChunk</span> <span class="nb">all</span> <span class="n">com</span><span class="o">/</span><span class="n">chunk</span> <span class="n">cc1</span>
		<span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">ave</span><span class="o">/</span><span class="n">time</span> <span class="mi">100</span> <span class="mi">1</span> <span class="mi">100</span> <span class="n">c_myChunk</span> <span class="n">file</span> <span class="n">tmp</span><span class="o">.</span><span class="n">out</span> <span class="n">mode</span> <span class="n">vector</span>
		<span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">ave</span><span class="o">/</span><span class="n">time</span> <span class="mi">100</span> <span class="mi">1</span> <span class="mi">100</span> <span class="n">c_myChunk</span><span class="p">[</span><span class="o">*</span><span class="p">]</span> <span class="n">file</span> <span class="n">tmp</span><span class="o">.</span><span class="n">out</span> <span class="n">mode</span> <span class="n">vector</span>
		</pre></div>
		</div>
		<ol class="arabic simple" start="4">

doc/html/Section_start.html

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		@@ -389,6 +389,7 @@ within the LAMMPS code. The options that are currently recogized are:</p>
		<li>-DLAMMPS_BIGBIG</li>
		<li>-DLAMMPS_SMALLSMALL</li>
		<li>-DLAMMPS_LONGLONG_TO_LONG</li>
		<li>-DLAMMPS_EXCEPTIONS</li>
		<li>-DPACK_ARRAY</li>
		<li>-DPACK_POINTER</li>
		<li>-DPACK_MEMCPY</li>
		@@ -457,6 +458,13 @@ be compiled with the same setting, or the link will fail.</p>
		MPI version does not recognize “long long” data types. In this case a
		“long” data type is likely already 64-bits, in which case this setting
		will convert to that data type.</p>
		<p>The -DLAMMPS_EXCEPTIONS setting can be used to activate alternative
		versions of error handling inside of LAMMPS. This is useful when
		external codes drive LAMMPS as a library. Using this option, LAMMPS
		errors do not kill the caller. Instead, the call stack is unwound and
		control returns to the caller. The library interface provides the
		lammps_has_error() and lammps_get_last_error_message() functions to
		detect and find out more about a LAMMPS error.</p>
		<p>Using one of the -DPACK_ARRAY, -DPACK_POINTER, and -DPACK_MEMCPY
		options can make for faster parallel FFTs (in the PPPM solver) on some
		platforms. The -DPACK_ARRAY setting is the default. See the

doc/html/compute_angmom_chunk.html

+1 −1

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		@@ -180,7 +180,7 @@ calculation to a file is to use the <a class="reference internal" href="fix_ave_
		command, for example:</p>
		<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">cc1</span> <span class="nb">all</span> <span class="n">chunk</span><span class="o">/</span><span class="n">atom</span> <span class="n">molecule</span>
		<span class="n">compute</span> <span class="n">myChunk</span> <span class="nb">all</span> <span class="n">angmom</span><span class="o">/</span><span class="n">chunk</span> <span class="n">cc1</span>
		<span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">ave</span><span class="o">/</span><span class="n">time</span> <span class="mi">100</span> <span class="mi">1</span> <span class="mi">100</span> <span class="n">c_myChunk</span> <span class="n">file</span> <span class="n">tmp</span><span class="o">.</span><span class="n">out</span> <span class="n">mode</span> <span class="n">vector</span>
		<span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">ave</span><span class="o">/</span><span class="n">time</span> <span class="mi">100</span> <span class="mi">1</span> <span class="mi">100</span> <span class="n">c_myChunk</span><span class="p">[</span><span class="o">*</span><span class="p">]</span> <span class="n">file</span> <span class="n">tmp</span><span class="o">.</span><span class="n">out</span> <span class="n">mode</span> <span class="n">vector</span>
		</pre></div>
		</div>
		<p><strong>Output info:</strong></p>

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