Loading doc/src/Manual.txt +2 −2 Original line number Diff line number Diff line <!-- HTML_ONLY --> <HEAD> <TITLE>LAMMPS Users Manual</TITLE> <META NAME="docnumber" CONTENT="27 Oct 2016 version"> <META NAME="docnumber" CONTENT="5 Nov 2016 version"> <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories"> <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License."> </HEAD> Loading @@ -21,7 +21,7 @@ <H1></H1> LAMMPS Documentation :c,h3 27 Oct 2016 version :c,h4 5 Nov 2016 version :c,h4 Version info: :h4 Loading doc/src/Section_howto.txt +2 −2 Original line number Diff line number Diff line Loading @@ -2729,7 +2729,7 @@ production runs and is only required during equilibration. This way one is consistent with literature (based on the code packages DL_POLY or GULP for instance). The mentioned energy transfer will typically lead to a a small drift The mentioned energy transfer will typically lead to a small drift in total energy over time. This internal energy can be monitored using the "compute chunk/atom"_compute_chunk_atom.html and "compute temp/chunk"_compute_temp_chunk.html commands. The internal kinetic Loading Loading @@ -2830,7 +2830,7 @@ temp/drude"_compute_temp_drude.html. This requires also to use the command {comm_modify vel yes}. Short-range damping of the induced dipole interactions can be achieved using Thole functions through the the "pair style using Thole functions through the "pair style thole"_pair_thole.html in "pair_style hybrid/overlay"_pair_hybrid.html with a Coulomb pair style. It may be useful to use {coul/long/cs} or similar from the CORESHELL package if the core and Drude particle come Loading doc/src/Section_start.txt +1 −1 Original line number Diff line number Diff line Loading @@ -706,7 +706,7 @@ future changes to LAMMPS. User packages, such as user-atc or user-omp, have been contributed by users, and always begin with the user prefix. If they are a single command (single file), they are typically in the user-misc package. Otherwise, they are a a set of files grouped together which add a Otherwise, they are a set of files grouped together which add a specific functionality to the code. User packages don't necessarily meet the requirements of the standard Loading doc/src/angle_charmm.txt +1 −1 Original line number Diff line number Diff line Loading @@ -74,7 +74,7 @@ more instructions on how to use the accelerated styles effectively. [Restrictions:] This angle style can only be used if LAMMPS was built with the MOLECULE package (which it is by default). See the "Making MOLECULE package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info on packages. [Related commands:] Loading doc/src/angle_cosine.txt +1 −1 Original line number Diff line number Diff line Loading @@ -61,7 +61,7 @@ more instructions on how to use the accelerated styles effectively. [Restrictions:] This angle style can only be used if LAMMPS was built with the MOLECULE package (which it is by default). See the "Making MOLECULE package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info on packages. [Related commands:] Loading Loading
doc/src/Manual.txt +2 −2 Original line number Diff line number Diff line <!-- HTML_ONLY --> <HEAD> <TITLE>LAMMPS Users Manual</TITLE> <META NAME="docnumber" CONTENT="27 Oct 2016 version"> <META NAME="docnumber" CONTENT="5 Nov 2016 version"> <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories"> <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License."> </HEAD> Loading @@ -21,7 +21,7 @@ <H1></H1> LAMMPS Documentation :c,h3 27 Oct 2016 version :c,h4 5 Nov 2016 version :c,h4 Version info: :h4 Loading
doc/src/Section_howto.txt +2 −2 Original line number Diff line number Diff line Loading @@ -2729,7 +2729,7 @@ production runs and is only required during equilibration. This way one is consistent with literature (based on the code packages DL_POLY or GULP for instance). The mentioned energy transfer will typically lead to a a small drift The mentioned energy transfer will typically lead to a small drift in total energy over time. This internal energy can be monitored using the "compute chunk/atom"_compute_chunk_atom.html and "compute temp/chunk"_compute_temp_chunk.html commands. The internal kinetic Loading Loading @@ -2830,7 +2830,7 @@ temp/drude"_compute_temp_drude.html. This requires also to use the command {comm_modify vel yes}. Short-range damping of the induced dipole interactions can be achieved using Thole functions through the the "pair style using Thole functions through the "pair style thole"_pair_thole.html in "pair_style hybrid/overlay"_pair_hybrid.html with a Coulomb pair style. It may be useful to use {coul/long/cs} or similar from the CORESHELL package if the core and Drude particle come Loading
doc/src/Section_start.txt +1 −1 Original line number Diff line number Diff line Loading @@ -706,7 +706,7 @@ future changes to LAMMPS. User packages, such as user-atc or user-omp, have been contributed by users, and always begin with the user prefix. If they are a single command (single file), they are typically in the user-misc package. Otherwise, they are a a set of files grouped together which add a Otherwise, they are a set of files grouped together which add a specific functionality to the code. User packages don't necessarily meet the requirements of the standard Loading
doc/src/angle_charmm.txt +1 −1 Original line number Diff line number Diff line Loading @@ -74,7 +74,7 @@ more instructions on how to use the accelerated styles effectively. [Restrictions:] This angle style can only be used if LAMMPS was built with the MOLECULE package (which it is by default). See the "Making MOLECULE package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info on packages. [Related commands:] Loading
doc/src/angle_cosine.txt +1 −1 Original line number Diff line number Diff line Loading @@ -61,7 +61,7 @@ more instructions on how to use the accelerated styles effectively. [Restrictions:] This angle style can only be used if LAMMPS was built with the MOLECULE package (which it is by default). See the "Making MOLECULE package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info on packages. [Related commands:] Loading
