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="10 Feb 2016 version"> <META NAME="docnumber" CONTENT="17 Feb 2017 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 10 Feb 2016 version :c,h4 17 Feb 2017 version :c,h4 Version info: :h4 Loading doc/src/compute_group_group.txt +2 −2 Original line number Diff line number Diff line Loading @@ -16,10 +16,10 @@ ID, group-ID are documented in "compute"_compute.html command :ulb,l group/group = style name of this compute command :l group2-ID = group ID of second (or same) group :l zero or more keyword/value pairs may be appended :l keyword = {pair} or {kspace} or {boundary} :l keyword = {pair} or {kspace} or {boundary} or {molecule} :l {pair} value = {yes} or {no} {kspace} value = {yes} or {no} {boundary} value = {yes} or {no} :pre {boundary} value = {yes} or {no} {molecule} value = {off} or {inter} or {intra} :pre :ule Loading doc/src/compute_rdf.txt +7 −7 Original line number Diff line number Diff line Loading @@ -41,14 +41,14 @@ NOTE: If you have a bonded system, then the settings of interactions between atoms in the same bond, angle, or dihedral. This is the default setting for the "special_bonds"_special_bonds.html command, and means those pairwise interactions do not appear in the neighbor list. Because this fix uses the neighbor list, it also means neighbor list. Because this fix uses a neighbor list, it also means those pairs will not be included in the RDF. This does not apply when using long-range coulomb ({coul/long}, {coul/msm}, {coul/wolf} or similar. One way to get around this would be to set special_bond scaling factors to very tiny numbers that are not exactly zero (e.g. 1.0e-50). Another workaround is to write a dump file, and use the "rerun"_rerun.html command to compute the RDF for snapshots in the dump file. The rerun script can use a using long-range coulomb interactions ({coul/long}, {coul/msm}, {coul/wolf} or similar. One way to get around this would be to set special_bond scaling factors to very tiny numbers that are not exactly zero (e.g. 1.0e-50). Another workaround is to write a dump file, and use the "rerun"_rerun.html command to compute the RDF for snapshots in the dump file. The rerun script can use a "special_bonds"_special_bonds.html command that includes all pairs in the neighbor list. Loading src/compute_group_group.cpp +1 −1 Original line number Diff line number Diff line Loading @@ -216,7 +216,7 @@ void ComputeGroupGroup::pair_contribution() int *ilist,*jlist,*numneigh,**firstneigh; double **x = atom->x; int *molecule = atom->molecule; tagint *molecule = atom->molecule; int *type = atom->type; int *mask = atom->mask; int nlocal = atom->nlocal; Loading src/version.h +1 −1 Original line number Diff line number Diff line #define LAMMPS_VERSION "10 Feb 2016" #define LAMMPS_VERSION "17 Feb 2017" 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="10 Feb 2016 version"> <META NAME="docnumber" CONTENT="17 Feb 2017 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 10 Feb 2016 version :c,h4 17 Feb 2017 version :c,h4 Version info: :h4 Loading
doc/src/compute_group_group.txt +2 −2 Original line number Diff line number Diff line Loading @@ -16,10 +16,10 @@ ID, group-ID are documented in "compute"_compute.html command :ulb,l group/group = style name of this compute command :l group2-ID = group ID of second (or same) group :l zero or more keyword/value pairs may be appended :l keyword = {pair} or {kspace} or {boundary} :l keyword = {pair} or {kspace} or {boundary} or {molecule} :l {pair} value = {yes} or {no} {kspace} value = {yes} or {no} {boundary} value = {yes} or {no} :pre {boundary} value = {yes} or {no} {molecule} value = {off} or {inter} or {intra} :pre :ule Loading
doc/src/compute_rdf.txt +7 −7 Original line number Diff line number Diff line Loading @@ -41,14 +41,14 @@ NOTE: If you have a bonded system, then the settings of interactions between atoms in the same bond, angle, or dihedral. This is the default setting for the "special_bonds"_special_bonds.html command, and means those pairwise interactions do not appear in the neighbor list. Because this fix uses the neighbor list, it also means neighbor list. Because this fix uses a neighbor list, it also means those pairs will not be included in the RDF. This does not apply when using long-range coulomb ({coul/long}, {coul/msm}, {coul/wolf} or similar. One way to get around this would be to set special_bond scaling factors to very tiny numbers that are not exactly zero (e.g. 1.0e-50). Another workaround is to write a dump file, and use the "rerun"_rerun.html command to compute the RDF for snapshots in the dump file. The rerun script can use a using long-range coulomb interactions ({coul/long}, {coul/msm}, {coul/wolf} or similar. One way to get around this would be to set special_bond scaling factors to very tiny numbers that are not exactly zero (e.g. 1.0e-50). Another workaround is to write a dump file, and use the "rerun"_rerun.html command to compute the RDF for snapshots in the dump file. The rerun script can use a "special_bonds"_special_bonds.html command that includes all pairs in the neighbor list. Loading
src/compute_group_group.cpp +1 −1 Original line number Diff line number Diff line Loading @@ -216,7 +216,7 @@ void ComputeGroupGroup::pair_contribution() int *ilist,*jlist,*numneigh,**firstneigh; double **x = atom->x; int *molecule = atom->molecule; tagint *molecule = atom->molecule; int *type = atom->type; int *mask = atom->mask; int nlocal = atom->nlocal; Loading
src/version.h +1 −1 Original line number Diff line number Diff line #define LAMMPS_VERSION "10 Feb 2016" #define LAMMPS_VERSION "17 Feb 2017"
