fix suffix style handling bug for adding fixes and computes

This commit is contained in:
Axel Kohlmeyer
2017-05-25 02:01:04 -04:00
parent 2225fce94e
commit 99a68e487f
5 changed files with 28 additions and 16 deletions

View File

@ -424,7 +424,7 @@ void PairGranHookeHistory::init_style()
fixarg[1] = (char *) "all";
fixarg[2] = (char *) "SHEAR_HISTORY";
fixarg[3] = dnumstr;
modify->add_fix(4,fixarg,1);
modify->add_fix(4,fixarg);
delete [] fixarg;
fix_history = (FixShearHistory *) modify->fix[modify->nfix-1];
fix_history->pair = this;

View File

@ -1478,7 +1478,7 @@ void Input::comm_style()
void Input::compute()
{
modify->add_compute(narg,arg,1);
modify->add_compute(narg,arg);
}
/* ---------------------------------------------------------------------- */
@ -1556,7 +1556,7 @@ void Input::dump_modify()
void Input::fix()
{
modify->add_fix(narg,arg,1);
modify->add_fix(narg,arg);
}
/* ---------------------------------------------------------------------- */

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@ -819,20 +819,26 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)
if (trysuffix && lmp->suffix_enable) {
if (lmp->suffix) {
char estyle[256];
int n = strlen(arg[2])+strlen(lmp->suffix)+2;
char *estyle = new char[n];
sprintf(estyle,"%s/%s",arg[2],lmp->suffix);
if (fix_map->find(estyle) != fix_map->end()) {
FixCreator fix_creator = (*fix_map)[estyle];
fix[ifix] = fix_creator(lmp,narg,arg);
}
delete[] fix[ifix]->style;
fix[ifix]->style = estyle;
} else delete[] estyle;
}
if (fix[ifix] == NULL && lmp->suffix2) {
char estyle[256];
int n = strlen(arg[2])+strlen(lmp->suffix2)+2;
char *estyle = new char[n];
sprintf(estyle,"%s/%s",arg[2],lmp->suffix2);
if (fix_map->find(estyle) != fix_map->end()) {
FixCreator fix_creator = (*fix_map)[estyle];
fix[ifix] = fix_creator(lmp,narg,arg);
}
delete[] fix[ifix]->style;
fix[ifix]->style = estyle;
} else delete[] estyle;
}
}
@ -1018,20 +1024,26 @@ void Modify::add_compute(int narg, char **arg, int trysuffix)
if (trysuffix && lmp->suffix_enable) {
if (lmp->suffix) {
char estyle[256];
int n = strlen(arg[2])+strlen(lmp->suffix)+2;
char *estyle = new char[n];
sprintf(estyle,"%s/%s",arg[2],lmp->suffix);
if (compute_map->find(estyle) != compute_map->end()) {
ComputeCreator compute_creator = (*compute_map)[estyle];
compute[ncompute] = compute_creator(lmp,narg,arg);
}
delete[] compute[ncompute]->style;
compute[ncompute]->style = estyle;
} else delete[] estyle;
}
if (compute[ncompute] == NULL && lmp->suffix2) {
char estyle[256];
int n = strlen(arg[2])+strlen(lmp->suffix2)+2;
char *estyle = new char[n];
sprintf(estyle,"%s/%s",arg[2],lmp->suffix2);
if (compute_map->find(estyle) != compute_map->end()) {
ComputeCreator compute_creator = (*compute_map)[estyle];
compute[ncompute] = compute_creator(lmp,narg,arg);
}
delete[] compute[ncompute]->style;
compute[ncompute]->style = estyle;
} else delete[] estyle;
}
}

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@ -92,14 +92,14 @@ class Modify : protected Pointers {
virtual int min_dof();
virtual int min_reset_ref();
void add_fix(int, char **, int trysuffix=0);
void add_fix(int, char **, int trysuffix=1);
void modify_fix(int, char **);
void delete_fix(const char *);
int find_fix(const char *);
int find_fix_by_style(const char *);
int check_package(const char *);
void add_compute(int, char **, int trysuffix=0);
void add_compute(int, char **, int trysuffix=1);
void modify_compute(int, char **);
void delete_compute(const char *);
int find_compute(const char *);

View File

@ -49,18 +49,18 @@ Output::Output(LAMMPS *lmp) : Pointers(lmp)
newarg[0] = (char *) "thermo_temp";
newarg[1] = (char *) "all";
newarg[2] = (char *) "temp";
modify->add_compute(3,newarg,1);
modify->add_compute(3,newarg);
newarg[0] = (char *) "thermo_press";
newarg[1] = (char *) "all";
newarg[2] = (char *) "pressure";
newarg[3] = (char *) "thermo_temp";
modify->add_compute(4,newarg,1);
modify->add_compute(4,newarg);
newarg[0] = (char *) "thermo_pe";
newarg[1] = (char *) "all";
newarg[2] = (char *) "pe";
modify->add_compute(3,newarg,1);
modify->add_compute(3,newarg);
delete [] newarg;