tx258/lammps-gran-kokkos
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simplify using utils::strdup()

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This commit is contained in:
Axel Kohlmeyer
2021-03-25 19:42:41 -04:00
parent 2baafda517
commit 53f32cea7e
7 changed files with 26 additions and 87 deletions
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8
src/GRANULAR/fix_pour.cpp
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@ -948,18 +948,14 @@ void FixPour::options(int narg, char **arg)
} else if (strcmp(arg[iarg],"rigid") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix pour command");
int n = strlen(arg[iarg+1]) + 1;
delete [] idrigid;
idrigid = new char[n];
strcpy(idrigid,arg[iarg+1]);
idrigid = utils::strdup(arg[iarg+1]);
rigidflag = 1;
iarg += 2;
} else if (strcmp(arg[iarg],"shake") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix pour command");
int n = strlen(arg[iarg+1]) + 1;
delete [] idshake;
idshake = new char[n];
strcpy(idshake,arg[iarg+1]);
idshake = utils::strdup(arg[iarg+1]);
shakeflag = 1;
iarg += 2;

4
src/GRANULAR/fix_wall_gran.cpp
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@ -338,9 +338,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
} else if (strcmp(arg[iarg],"region") == 0) {
if (narg < iarg+2) error->all(FLERR,"Illegal fix wall/gran command");
wallstyle = REGION;
int n = strlen(arg[iarg+1]) + 1;
idregion = new char[n];
strcpy(idregion,arg[iarg+1]);
idregion = utils::strdup(arg[iarg+1]);
iarg += 2;
}

8
src/KOKKOS/atom_kokkos.cpp
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@ -257,9 +257,7 @@ int AtomKokkos::add_custom(const char *name, int flag)
nivector++;
iname = (char **) memory->srealloc(iname,nivector*sizeof(char *),
"atom:iname");
int n = strlen(name) + 1;
iname[index] = new char[n];
strcpy(iname[index],name);
iname[index] = utils::strdup(name);
ivector = (int **) memory->srealloc(ivector,nivector*sizeof(int *),
"atom:ivector");
memory->create(ivector[index],nmax,"atom:ivector");
@ -268,9 +266,7 @@ int AtomKokkos::add_custom(const char *name, int flag)
ndvector++;
dname = (char **) memory->srealloc(dname,ndvector*sizeof(char *),
"atom:dname");
int n = strlen(name) + 1;
dname[index] = new char[n];
strcpy(dname[index],name);
dname[index] = utils::strdup(name);
this->sync(Device,DVECTOR_MASK);
memoryKK->grow_kokkos(k_dvector,dvector,ndvector,nmax,
"atom:dvector");

9
src/KOKKOS/atom_vec_hybrid_kokkos.cpp
View File

@ -72,8 +72,7 @@ void AtomVecHybridKokkos::process_args(int narg, char **arg)
if (strcmp(arg[iarg],keywords[i]) == 0)
error->all(FLERR,"Atom style hybrid cannot use same atom style twice");
styles[nstyles] = atom->new_avec(arg[iarg],1,dummy);
keywords[nstyles] = new char[strlen(arg[iarg])+1];
strcpy(keywords[nstyles],arg[iarg]);
keywords[nstyles] = utils::strdup(arg[iarg]);
jarg = iarg + 1;
while (jarg < narg && !known_style(arg[jarg])) jarg++;
styles[nstyles]->process_args(jarg-iarg-1,&arg[iarg+1]);
@ -1175,10 +1174,8 @@ void AtomVecHybridKokkos::build_styles()
int n;
nallstyles = 0;
#define ATOM_CLASS
#define AtomStyle(key,Class) \
n = strlen(#key) + 1; \
allstyles[nallstyles] = new char[n]; \
strcpy(allstyles[nallstyles],#key); \
#define AtomStyle(key,Class) \
allstyles[nallstyles] = utils::strdup(#key); \
nallstyles++;
#include "style_atom.h" // IWYU pragma: keep
#undef AtomStyle

33
src/KOKKOS/fix_nph_kokkos.cpp
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@ -29,45 +29,26 @@ FixNPHKokkos<DeviceType>::FixNPHKokkos(LAMMPS *lmp, int narg, char **arg) :
{
this->kokkosable = 1;
if (this->tstat_flag)
this->error->all(FLERR,"Temperature control can not be used with fix nph");
this->error->all(FLERR,"Temperature control can not be used with fix nph/kk");
if (!this->pstat_flag)
this->error->all(FLERR,"Pressure control must be used with fix nph");
this->error->all(FLERR,"Pressure control must be used with fix nph/kk");
// create a new compute temp style
// id = fix-ID + temp
// compute group = all since pressure is always global (group all)
// and thus its KE/temperature contribution should use group all
int n = strlen(this->id) + 6;
this->id_temp = new char[n];
strcpy(this->id_temp,this->id);
strcat(this->id_temp,"_temp");
char **newarg = new char*[3];
newarg[0] = this->id_temp;
newarg[1] = (char *) "all";
newarg[2] = (char *) "temp/kk";
this->modify->add_compute(3,newarg);
delete [] newarg;
this->id_temp = utils::strdup(std::string(this->id)+"_temp");
this->modify->add_compute(std::string(this->id_temp)+" all temp/kk");
this->tcomputeflag = 1;
// create a new compute pressure style
// id = fix-ID + press, compute group = all
// pass id_temp as 4th arg to pressure constructor
n = strlen(this->id) + 7;
this->id_press = new char[n];
strcpy(this->id_press,this->id);
strcat(this->id_press,"_press");
newarg = new char*[4];
newarg[0] = this->id_press;
newarg[1] = (char *) "all";
newarg[2] = (char *) "pressure";
newarg[3] = this->id_temp;
this->modify->add_compute(4,newarg);
delete [] newarg;
this->id_press = utils::strdup(std::string(this->id)+"_press");
this->modify->add_compute(std::string(this->id_press)
+" all pressure "+this->id_temp);
this->pcomputeflag = 1;
}

33
src/KOKKOS/fix_npt_kokkos.cpp
View File

@ -29,45 +29,26 @@ FixNPTKokkos<DeviceType>::FixNPTKokkos(LAMMPS *lmp, int narg, char **arg) :
{
this->kokkosable = 1;
if (!this->tstat_flag)
this->error->all(FLERR,"Temperature control must be used with fix npt");
this->error->all(FLERR,"Temperature control must be used with fix npt/kk");
if (!this->pstat_flag)
this->error->all(FLERR,"Pressure control must be used with fix npt");
this->error->all(FLERR,"Pressure control must be used with fix npt/kk");
// create a new compute temp style
// id = fix-ID + temp
// compute group = all since pressure is always global (group all)
// and thus its KE/temperature contribution should use group all
int n = strlen(this->id) + 6;
this->id_temp = new char[n];
strcpy(this->id_temp,this->id);
strcat(this->id_temp,"_temp");
char **newarg = new char*[3];
newarg[0] = this->id_temp;
newarg[1] = (char *) "all";
newarg[2] = (char *) "temp/kk";
this->modify->add_compute(3,newarg);
delete [] newarg;
this->id_temp = utils::strdup(std::string(this->id)+"_temp");
this->modify->add_compute(std::string(this->id_temp)+" all temp/kk");
this->tcomputeflag = 1;
// create a new compute pressure style
// id = fix-ID + press, compute group = all
// pass id_temp as 4th arg to pressure constructor
n = strlen(this->id) + 7;
this->id_press = new char[n];
strcpy(this->id_press,this->id);
strcat(this->id_press,"_press");
newarg = new char*[4];
newarg[0] = this->id_press;
newarg[1] = (char *) "all";
newarg[2] = (char *) "pressure";
newarg[3] = this->id_temp;
this->modify->add_compute(4,newarg);
delete [] newarg;
this->id_press = utils::strdup(std::string(this->id)+"_press");
this->modify->add_compute(std::string(this->id_press)
+" all pressure "+this->id_temp);
this->pcomputeflag = 1;
}

18
src/KOKKOS/fix_nvt_kokkos.cpp
View File

@ -30,25 +30,15 @@ FixNVTKokkos<DeviceType>::FixNVTKokkos(LAMMPS *lmp, int narg, char **arg) :
{
this->kokkosable = 1;
if (!this->tstat_flag)
this->error->all(FLERR,"Temperature control must be used with fix nvt");
this->error->all(FLERR,"Temperature control must be used with fix nvt/kk");
if (this->pstat_flag)
this->error->all(FLERR,"Pressure control can not be used with fix nvt");
this->error->all(FLERR,"Pressure control can not be used with fix nvt/kk");
// create a new compute temp style
// id = fix-ID + temp
int n = strlen(this->id) + 6;
this->id_temp = new char[n];
strcpy(this->id_temp,this->id);
strcat(this->id_temp,"_temp");
char **newarg = new char*[3];
newarg[0] = this->id_temp;
newarg[1] = this->group->names[this->igroup];
newarg[2] = (char *) "temp/kk";
this->modify->add_compute(3,newarg);
delete [] newarg;
this->id_temp = utils::strdup(std::string(this->id)+"_temp");
this->modify->add_compute(std::string(this->id_temp)+" all temp/kk");
this->tcomputeflag = 1;
}