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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-04-11 14:46:49 +00:00
parent d45cca6714
commit 0916861315
92 changed files with 252 additions and 318 deletions
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16
src/input.cpp
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@ -893,7 +893,7 @@ void Input::partition()
{
if (narg < 3) error->all(FLERR,"Illegal partition command");
int yesflag;
int yesflag=-1;
if (strcmp(arg[0],"yes") == 0) yesflag = 1;
else if (strcmp(arg[0],"no") == 0) yesflag = 0;
else error->all(FLERR,"Illegal partition command");
@ -1347,7 +1347,7 @@ void Input::neighbor_command()
void Input::newton()
{
int newton_pair,newton_bond;
int newton_pair=1,newton_bond=1;
if (narg == 1) {
if (strcmp(arg[0],"off") == 0) newton_pair = newton_bond = 0;
@ -1364,15 +1364,9 @@ void Input::newton()
force->newton_pair = newton_pair;
if (newton_bond == 0) {
if (domain->box_exist && force->newton_bond == 1)
error->all(FLERR,"Newton bond change after simulation box is defined");
force->newton_bond = 0;
} else {
if (domain->box_exist && force->newton_bond == 0)
error->all(FLERR,"Newton bond change after simulation box is defined");
force->newton_bond = 1;
}
if (domain->box_exist && (newton_bond != force->newton_bond))
error->all(FLERR,"Newton bond change after simulation box is defined");
force->newton_bond = newton_bond;
if (newton_pair || newton_bond) force->newton = 1;
else force->newton = 0;