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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-06-06 23:21:39 +00:00
parent 1a52795e1d
commit 0f3e4182e8
67 changed files with 236 additions and 151 deletions
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17
src/fix_nh.cpp
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@ -80,6 +80,11 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
flipflag = 1;
dipole_flag = 0;
tcomputeflag = 0;
pcomputeflag = 0;
id_temp = NULL;
id_press = NULL;
// turn on tilt factor scaling, whenever applicable
dimension = domain->dimension;
@ -558,7 +563,7 @@ FixNH::~FixNH()
// delete temperature and pressure if fix created them
if (tflag) modify->delete_compute(id_temp);
if (tcomputeflag) modify->delete_compute(id_temp);
delete [] id_temp;
if (tstat_flag) {
@ -569,7 +574,7 @@ FixNH::~FixNH()
}
if (pstat_flag) {
if (pflag) modify->delete_compute(id_press);
if (pcomputeflag) modify->delete_compute(id_press);
delete [] id_press;
if (mpchain) {
delete [] etap;
@ -1347,9 +1352,9 @@ int FixNH::modify_param(int narg, char **arg)
{
if (strcmp(arg[0],"temp") == 0) {
if (narg < 2) error->all(FLERR,"Illegal fix_modify command");
if (tflag) {
if (tcomputeflag) {
modify->delete_compute(id_temp);
tflag = 0;
tcomputeflag = 0;
}
delete [] id_temp;
int n = strlen(arg[1]) + 1;
@ -1381,9 +1386,9 @@ int FixNH::modify_param(int narg, char **arg)
} else if (strcmp(arg[0],"press") == 0) {
if (narg < 2) error->all(FLERR,"Illegal fix_modify command");
if (!pstat_flag) error->all(FLERR,"Illegal fix_modify command");
if (pflag) {
if (pcomputeflag) {
modify->delete_compute(id_press);
pflag = 0;
pcomputeflag = 0;
}
delete [] id_press;
int n = strlen(arg[1]) + 1;