(ef429798) · Commits · 郑智淋 / lammps

doc/angle_charmm.html

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		<div class="section" id="angle-style-charmm-command">
		<span id="index-0"></span><h1>angle_style charmm command<a class="headerlink" href="#angle-style-charmm-command" title="Permalink to this headline">¶</a></h1>
		</div>
		<div class="section" id="angle-style-charmm-intel-command">
		<h1>angle_style charmm/intel command<a class="headerlink" href="#angle-style-charmm-intel-command" title="Permalink to this headline">¶</a></h1>
		</div>
		<div class="section" id="angle-style-charmm-kk-command">
		<h1>angle_style charmm/kk command<a class="headerlink" href="#angle-style-charmm-kk-command" title="Permalink to this headline">¶</a></h1>
		</div>
		@@ -152,7 +155,7 @@ angle_coeff 1 300.0 107.0 50.0 3.0
		<p>with an additional Urey_Bradley term based on the distance <em>r</em> between
		the 1st and 3rd atoms in the angle. K, theta0, Kub, and Rub are
		coefficients defined for each angle type.</p>
		<p>See <a class="reference internal" href="special_bonds.html#mackerell"><span>(MacKerell)</span></a> for a description of the CHARMM force
		<p>See <a class="reference internal" href="dihedral_charmm.html#mackerell"><span>(MacKerell)</span></a> for a description of the CHARMM force
		field.</p>
		<p>The following coefficients must be defined for each angle type via the
		<a class="reference internal" href="angle_coeff.html"><em>angle_coeff</em></a> command as in the example above, or in

doc/angle_charmm.txt

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		:line

		angle_style charmm command :h3
		angle_style charmm/intel command :h3
		angle_style charmm/kk command :h3
		angle_style charmm/omp command :h3

doc/bond_harmonic.html

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		<div class="section" id="bond-style-harmonic-command">
		<span id="index-0"></span><h1>bond_style harmonic command<a class="headerlink" href="#bond-style-harmonic-command" title="Permalink to this headline">¶</a></h1>
		</div>
		<div class="section" id="bond-style-harmonic-intel-command">
		<h1>bond_style harmonic/intel command<a class="headerlink" href="#bond-style-harmonic-intel-command" title="Permalink to this headline">¶</a></h1>
		</div>
		<div class="section" id="bond-style-harmonic-kk-command">
		<h1>bond_style harmonic/kk command<a class="headerlink" href="#bond-style-harmonic-kk-command" title="Permalink to this headline">¶</a></h1>
		</div>

doc/bond_harmonic.txt

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		:line

		bond_style harmonic command :h3
		bond_style harmonic/intel command :h3
		bond_style harmonic/kk command :h3
		bond_style harmonic/omp command :h3

doc/dihedral_charmm.html

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		<div class="section" id="dihedral-style-charmm-command">
		<span id="index-0"></span><h1>dihedral_style charmm command<a class="headerlink" href="#dihedral-style-charmm-command" title="Permalink to this headline">¶</a></h1>
		</div>
		<div class="section" id="dihedral-style-charmm-intel-command">
		<h1>dihedral_style charmm/intel command<a class="headerlink" href="#dihedral-style-charmm-intel-command" title="Permalink to this headline">¶</a></h1>
		</div>
		<div class="section" id="dihedral-style-charmm-kk-command">
		<h1>dihedral_style charmm/kk command<a class="headerlink" href="#dihedral-style-charmm-kk-command" title="Permalink to this headline">¶</a></h1>
		</div>
		@@ -149,9 +152,9 @@ dihedral_coeff 1 120.0 1 60 0.5
		<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline">¶</a></h2>
		<p>The <em>charmm</em> dihedral style uses the potential</p>
		<img alt="_images/dihedral_charmm.jpg" class="align-center" src="_images/dihedral_charmm.jpg" />
		<p>See <a class="reference internal" href="special_bonds.html#mackerell"><span>(MacKerell)</span></a> for a description of the CHARMM force
		<p>See <a class="reference internal" href="#mackerell"><span>(MacKerell)</span></a> for a description of the CHARMM force
		field. This dihedral style can also be used for the AMBER force field
		(see comment on weighting factors below). See <a class="reference internal" href="special_bonds.html#cornell"><span>(Cornell)</span></a>
		(see comment on weighting factors below). See <a class="reference internal" href="#cornell"><span>(Cornell)</span></a>
		for a description of the AMBER force field.</p>
		<p>The following coefficients must be defined for each dihedral type via the
		<a class="reference internal" href="dihedral_coeff.html"><em>dihedral_coeff</em></a> command as in the example above, or in

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