(e98647ef) · Commits · 郑智淋 / lammps

doc/Section_commands.html

+7 −7

Original line number	Diff line number	Diff line
		@@ -676,9 +676,9 @@ g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.</p>
		<td><a class="reference internal" href="fix_nve_noforce.html"><em>nve/noforce</em></a></td>
		<td><a class="reference internal" href="fix_nve_sphere.html"><em>nve/sphere (o)</em></a></td>
		<td><a class="reference internal" href="fix_nve_tri.html"><em>nve/tri</em></a></td>
		<td><a class="reference internal" href="fix_nh.html"><em>nvt (cko)</em></a></td>
		<td><a class="reference internal" href="fix_nh.html"><em>nvt (ciko)</em></a></td>
		<td><a class="reference internal" href="fix_nvt_asphere.html"><em>nvt/asphere (o)</em></a></td>
		<td><a class="reference internal" href="fix_nvt_sllod.html"><em>nvt/sllod (o)</em></a></td>
		<td><a class="reference internal" href="fix_nvt_sllod.html"><em>nvt/sllod (io)</em></a></td>
		</tr>
		<tr class="row-even"><td><a class="reference internal" href="fix_nvt_sphere.html"><em>nvt/sphere (o)</em></a></td>
		<td><a class="reference internal" href="fix_oneway.html"><em>oneway</em></a></td>
		@@ -1293,7 +1293,7 @@ KOKKOS, o = USER-OMP, t = OPT.</p>
		<table border="1" class="docutils">
		<colgroup>
		<col width="21%" />
		<col width="25%" />
		<col width="24%" />
		<col width="28%" />
		<col width="27%" />
		</colgroup>
		@@ -1308,7 +1308,7 @@ KOKKOS, o = USER-OMP, t = OPT.</p>
		<td><a class="reference internal" href="angle_cosine_periodic.html"><em>cosine/periodic (o)</em></a></td>
		<td><a class="reference internal" href="angle_cosine_squared.html"><em>cosine/squared (o)</em></a></td>
		</tr>
		<tr class="row-odd"><td><a class="reference internal" href="angle_harmonic.html"><em>harmonic (ko)</em></a></td>
		<tr class="row-odd"><td><a class="reference internal" href="angle_harmonic.html"><em>harmonic (iko)</em></a></td>
		<td><a class="reference internal" href="angle_table.html"><em>table (o)</em></a></td>
		<td> </td>
		<td> </td>
		@@ -1360,10 +1360,10 @@ KOKKOS, o = USER-OMP, t = OPT.</p>
		<td><a class="reference internal" href="dihedral_charmm.html"><em>charmm (ko)</em></a></td>
		<td><a class="reference internal" href="dihedral_class2.html"><em>class2 (o)</em></a></td>
		</tr>
		<tr class="row-even"><td><a class="reference internal" href="dihedral_harmonic.html"><em>harmonic (o)</em></a></td>
		<tr class="row-even"><td><a class="reference internal" href="dihedral_harmonic.html"><em>harmonic (io)</em></a></td>
		<td><a class="reference internal" href="dihedral_helix.html"><em>helix (o)</em></a></td>
		<td><a class="reference internal" href="dihedral_multi_harmonic.html"><em>multi/harmonic (o)</em></a></td>
		<td><a class="reference internal" href="dihedral_opls.html"><em>opls (ko)</em></a></td>
		<td><a class="reference internal" href="dihedral_opls.html"><em>opls (iko)</em></a></td>
		</tr>
		</tbody>
		</table>
		@@ -1410,7 +1410,7 @@ KOKKOS, o = USER-OMP, t = OPT.</p>
		<tr class="row-odd"><td><a class="reference internal" href="improper_none.html"><em>none</em></a></td>
		<td><a class="reference internal" href="improper_hybrid.html"><em>hybrid</em></a></td>
		<td><a class="reference internal" href="improper_class2.html"><em>class2 (o)</em></a></td>
		<td><a class="reference internal" href="improper_cvff.html"><em>cvff (o)</em></a></td>
		<td><a class="reference internal" href="improper_cvff.html"><em>cvff (io)</em></a></td>
		</tr>
		<tr class="row-even"><td><a class="reference internal" href="improper_harmonic.html"><em>harmonic (ko)</em></a></td>
		<td><a class="reference internal" href="improper_umbrella.html"><em>umbrella (o)</em></a></td>

doc/Section_commands.txt

+6 −6

Original line number	Diff line number	Diff line
		@@ -534,9 +534,9 @@ g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
		"nve/noforce"_fix_nve_noforce.html,
		"nve/sphere (o)"_fix_nve_sphere.html,
		"nve/tri"_fix_nve_tri.html,
		"nvt (cko)"_fix_nh.html,
		"nvt (ciko)"_fix_nh.html,
		"nvt/asphere (o)"_fix_nvt_asphere.html,
		"nvt/sllod (o)"_fix_nvt_sllod.html,
		"nvt/sllod (io)"_fix_nvt_sllod.html,
		"nvt/sphere (o)"_fix_nvt_sphere.html,
		"oneway"_fix_oneway.html,
		"orient/fcc"_fix_orient_fcc.html,
		@@ -1002,7 +1002,7 @@ KOKKOS, o = USER-OMP, t = OPT.
		"cosine/delta (o)"_angle_cosine_delta.html,
		"cosine/periodic (o)"_angle_cosine_periodic.html,
		"cosine/squared (o)"_angle_cosine_squared.html,
		"harmonic (ko)"_angle_harmonic.html,
		"harmonic (iko)"_angle_harmonic.html,
		"table (o)"_angle_table.html :tb(c=4,ea=c)

		These are additional angle styles in USER packages, which can be used
		@@ -1033,10 +1033,10 @@ KOKKOS, o = USER-OMP, t = OPT.
		"hybrid"_dihedral_hybrid.html,
		"charmm (ko)"_dihedral_charmm.html,
		"class2 (o)"_dihedral_class2.html,
		"harmonic (o)"_dihedral_harmonic.html,
		"harmonic (io)"_dihedral_harmonic.html,
		"helix (o)"_dihedral_helix.html,
		"multi/harmonic (o)"_dihedral_multi_harmonic.html,
		"opls (ko)"_dihedral_opls.html :tb(c=4,ea=c)
		"opls (iko)"_dihedral_opls.html :tb(c=4,ea=c)

		These are additional dihedral styles in USER packages, which can be
		used if "LAMMPS is built with the appropriate
		@@ -1063,7 +1063,7 @@ KOKKOS, o = USER-OMP, t = OPT.
		"none"_improper_none.html,
		"hybrid"_improper_hybrid.html,
		"class2 (o)"_improper_class2.html,
		"cvff (o)"_improper_cvff.html,
		"cvff (io)"_improper_cvff.html,
		"harmonic (ko)"_improper_harmonic.html,
		"umbrella (o)"_improper_umbrella.html :tb(c=4,ea=c)

doc/_sources/Section_commands.txt

+18 −18

Original line number	Diff line number	Diff line
		@@ -468,7 +468,7 @@ g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
		+--------------------------------------------+-----------------------------------------+--------------------------------------------------------+----------------------------------------+--------------------------------------+------------------------------------------------+------------------------------------------------------+------------------------------------------+
		\| :doc:`nph/sphere (o) <fix_nph_sphere>` \| :doc:`npt (ckio) <fix_nh>` \| :doc:`npt/asphere (o) <fix_npt_asphere>` \| :doc:`npt/sphere (o) <fix_npt_sphere>` \| :doc:`nve (ckio) <fix_nve>` \| :doc:`nve/asphere (i) <fix_nve_asphere>` \| :doc:`nve/asphere/noforce <fix_nve_asphere_noforce>` \| :doc:`nve/body <fix_nve_body>` \|
		+--------------------------------------------+-----------------------------------------+--------------------------------------------------------+----------------------------------------+--------------------------------------+------------------------------------------------+------------------------------------------------------+------------------------------------------+
		\| :doc:`nve/limit <fix_nve_limit>` \| :doc:`nve/line <fix_nve_line>` \| :doc:`nve/noforce <fix_nve_noforce>` \| :doc:`nve/sphere (o) <fix_nve_sphere>` \| :doc:`nve/tri <fix_nve_tri>` \| :doc:`nvt (cko) <fix_nh>` \| :doc:`nvt/asphere (o) <fix_nvt_asphere>` \| :doc:`nvt/sllod (o) <fix_nvt_sllod>` \|
		\| :doc:`nve/limit <fix_nve_limit>` \| :doc:`nve/line <fix_nve_line>` \| :doc:`nve/noforce <fix_nve_noforce>` \| :doc:`nve/sphere (o) <fix_nve_sphere>` \| :doc:`nve/tri <fix_nve_tri>` \| :doc:`nvt (ciko) <fix_nh>` \| :doc:`nvt/asphere (o) <fix_nvt_asphere>` \| :doc:`nvt/sllod (io) <fix_nvt_sllod>` \|
		+--------------------------------------------+-----------------------------------------+--------------------------------------------------------+----------------------------------------+--------------------------------------+------------------------------------------------+------------------------------------------------------+------------------------------------------+
		\| :doc:`nvt/sphere (o) <fix_nvt_sphere>` \| :doc:`oneway <fix_oneway>` \| :doc:`orient/fcc <fix_orient_fcc>` \| :doc:`planeforce <fix_planeforce>` \| :doc:`poems <fix_poems>` \| :doc:`pour <fix_pour>` \| :doc:`press/berendsen <fix_press_berendsen>` \| :doc:`print <fix_print>` \|
		+--------------------------------------------+-----------------------------------------+--------------------------------------------------------+----------------------------------------+--------------------------------------+------------------------------------------------+------------------------------------------------------+------------------------------------------+
		@@ -713,13 +713,13 @@ LAMMPS is built with the :doc:`appropriate accelerated package <Section_accelera
		letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
		KOKKOS, o = USER-OMP, t = OPT.

		+---------------------------------------+----------------------------------------------+----------------------------------------------------+--------------------------------------------------+
		+----------------------------------------+----------------------------------------------+----------------------------------------------------+--------------------------------------------------+
		\| :doc:`none <angle_none>` \| :doc:`hybrid <angle_hybrid>` \| :doc:`charmm (ko) <angle_charmm>` \| :doc:`class2 (o) <angle_class2>` \|
		+---------------------------------------+----------------------------------------------+----------------------------------------------------+--------------------------------------------------+
		+----------------------------------------+----------------------------------------------+----------------------------------------------------+--------------------------------------------------+
		\| :doc:`cosine (o) <angle_cosine>` \| :doc:`cosine/delta (o) <angle_cosine_delta>` \| :doc:`cosine/periodic (o) <angle_cosine_periodic>` \| :doc:`cosine/squared (o) <angle_cosine_squared>` \|
		+---------------------------------------+----------------------------------------------+----------------------------------------------------+--------------------------------------------------+
		\| :doc:`harmonic (ko) <angle_harmonic>` \| :doc:`table (o) <angle_table>` \| \| \|
		+---------------------------------------+----------------------------------------------+----------------------------------------------------+--------------------------------------------------+
		+----------------------------------------+----------------------------------------------+----------------------------------------------------+--------------------------------------------------+
		\| :doc:`harmonic (iko) <angle_harmonic>` \| :doc:`table (o) <angle_table>` \| \| \|
		+----------------------------------------+----------------------------------------------+----------------------------------------------------+--------------------------------------------------+

		These are additional angle styles in USER packages, which can be used
		if :ref:`LAMMPS is built with the appropriate package <start_3>`.
		@@ -744,11 +744,11 @@ be used if LAMMPS is built with the :doc:`appropriate accelerated package <Secti
		letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
		KOKKOS, o = USER-OMP, t = OPT.

		+-----------------------------------------+-----------------------------------+-----------------------------------------------------+-------------------------------------+
		+------------------------------------------+-----------------------------------+-----------------------------------------------------+-------------------------------------+
		\| :doc:`none <dihedral_none>` \| :doc:`hybrid <dihedral_hybrid>` \| :doc:`charmm (ko) <dihedral_charmm>` \| :doc:`class2 (o) <dihedral_class2>` \|
		+-----------------------------------------+-----------------------------------+-----------------------------------------------------+-------------------------------------+
		\| :doc:`harmonic (o) <dihedral_harmonic>` \| :doc:`helix (o) <dihedral_helix>` \| :doc:`multi/harmonic (o) <dihedral_multi_harmonic>` \| :doc:`opls (ko) <dihedral_opls>` \|
		+-----------------------------------------+-----------------------------------+-----------------------------------------------------+-------------------------------------+
		+------------------------------------------+-----------------------------------+-----------------------------------------------------+-------------------------------------+
		\| :doc:`harmonic (io) <dihedral_harmonic>` \| :doc:`helix (o) <dihedral_helix>` \| :doc:`multi/harmonic (o) <dihedral_multi_harmonic>` \| :doc:`opls (iko) <dihedral_opls>` \|
		+------------------------------------------+-----------------------------------+-----------------------------------------------------+-------------------------------------+

		These are additional dihedral styles in USER packages, which can be
		used if :ref:`LAMMPS is built with the appropriate package <start_3>`.
		@@ -773,11 +773,11 @@ be used if LAMMPS is built with the :doc:`appropriate accelerated package <Secti
		letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
		KOKKOS, o = USER-OMP, t = OPT.

		+------------------------------------------+-----------------------------------------+-------------------------------------+---------------------------------+
		\| :doc:`none <improper_none>` \| :doc:`hybrid <improper_hybrid>` \| :doc:`class2 (o) <improper_class2>` \| :doc:`cvff (o) <improper_cvff>` \|
		+------------------------------------------+-----------------------------------------+-------------------------------------+---------------------------------+
		+------------------------------------------+-----------------------------------------+-------------------------------------+----------------------------------+
		\| :doc:`none <improper_none>` \| :doc:`hybrid <improper_hybrid>` \| :doc:`class2 (o) <improper_class2>` \| :doc:`cvff (io) <improper_cvff>` \|
		+------------------------------------------+-----------------------------------------+-------------------------------------+----------------------------------+
		\| :doc:`harmonic (ko) <improper_harmonic>` \| :doc:`umbrella (o) <improper_umbrella>` \| \| \|
		+------------------------------------------+-----------------------------------------+-------------------------------------+---------------------------------+
		+------------------------------------------+-----------------------------------------+-------------------------------------+----------------------------------+

		These are additional improper styles in USER packages, which can be
		used if :ref:`LAMMPS is built with the appropriate package <start_3>`.

doc/_sources/angle_harmonic.txt

+3 −0

Original line number	Diff line number	Diff line
		@@ -3,6 +3,9 @@
		angle_style harmonic command
		============================

		angle_style harmonic/intel command
		==================================

		angle_style harmonic/kk command
		===============================

doc/_sources/dihedral_harmonic.txt

+3 −0

Original line number	Diff line number	Diff line
		@@ -3,6 +3,9 @@
		dihedral_style harmonic command
		===============================

		dihedral_style harmonic/intel command
		=====================================

		dihedral_style harmonic/omp command
		===================================

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