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simplify code, make use of fmtlib and utils

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This commit is contained in:
Axel Kohlmeyer
2021-07-29 13:25:06 -04:00
parent a9271b6d9a
commit 508798ab2b
2 changed files with 24 additions and 34 deletions
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26
src/ATC/fix_atc.cpp
View File

@ -700,20 +700,17 @@ int FixATC::size_restart(int /* nlocal */) {
void FixATC::write_restart(FILE * /* fp */) { void FixATC::write_restart(FILE * /* fp */) {
char ** args = new char*[2]; char *args[2];
args[0] = new char[50]; args[0] = utils::strdup("write_restart");
args[1] = new char[50]; args[1] = utils::strdup("sprintf(args[1],"ATC.restart");
sprintf(args[0],"write_restart");
sprintf(args[1],"ATC.restart");
// Then call all objects I own to write their data // Then call all objects I own to write their data
if (comm->me == 0) { if (comm->me == 0) {
atc_->modify(2,args); atc_->modify(2,args);
} }
delete [] args[0]; delete[] args[0];
delete [] args[1]; delete[] args[1];
delete [] args;
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
@ -722,20 +719,17 @@ void FixATC::write_restart(FILE * /* fp */) {
void FixATC::restart(char * /* buf */) { void FixATC::restart(char * /* buf */) {
char ** args = new char*[2]; char *args[2];
args[0] = new char[50]; args[0] = utils::strdup("read_restart");
args[1] = new char[50]; args[1] = utils::strdup("ATC.restart");
sprintf(args[0],"read_restart");
sprintf(args[1],"ATC.restart");
// Then call all objects I own to write their data // Then call all objects I own to write their data
if (comm->me == 0) { if (comm->me == 0) {
atc_->modify(2,args); atc_->modify(2,args);
} }
delete [] args[0]; delete[] args[0];
delete [] args[1]; delete[] args[1];
delete [] args;
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------

32
src/SCAFACOS/scafacos.cpp
View File

@ -80,7 +80,7 @@ void Scafacos::settings(int narg, char **arg)
Scafacos::~Scafacos() Scafacos::~Scafacos()
{ {
delete [] method; delete[] method;
memory->destroy(xpbc); memory->destroy(xpbc);
memory->destroy(epot); memory->destroy(epot);
@ -95,16 +95,15 @@ Scafacos::~Scafacos()
void Scafacos::init() void Scafacos::init()
{ {
// error checks // error checks
if (screen && me == 0) fprintf(screen, if (me == 0) {
"Setting up ScaFaCoS with solver %s ...\n",method); utils::logmesg(lmp,"Setting up ScaFaCoS with solver {} ...\n",method);
if (logfile && me == 0) fprintf(logfile,
"Setting up ScaFaCoS with solver %s ...\n",method);
if ((strcmp(method,"p3m") == 0) && (me == 0)) if (strcmp(method,"p3m") == 0)
error->warning(FLERR,"Virial computation for P3M not available"); error->warning(FLERR,"Virial computation for P3M not available");
if ((strcmp(method,"ewald") == 0) && (me == 0)) if (strcmp(method,"ewald") == 0)
error->warning(FLERR,"Virial computation for Ewald not available"); error->warning(FLERR,"Virial computation for Ewald not available");
}
if (!atom->q_flag) if (!atom->q_flag)
error->all(FLERR,"Kspace style requires atom attribute q"); error->all(FLERR,"Kspace style requires atom attribute q");
@ -119,8 +118,7 @@ void Scafacos::init()
error->all(FLERR,"Scafacos atom count exceeds 2B"); error->all(FLERR,"Scafacos atom count exceeds 2B");
if (atom->molecular != Atom::ATOMIC) if (atom->molecular != Atom::ATOMIC)
error->all(FLERR, error->all(FLERR, "Cannot use Scafacos with molecular charged systems yet");
"Cannot use Scafacos with molecular charged systems yet");
FCSResult result; FCSResult result;
@ -358,15 +356,13 @@ int Scafacos::modify_param(int narg, char **arg)
// value1 = 0, 1 // value1 = 0, 1
// 0 -> homogenous system (default) // 0 -> homogenous system (default)
// 1 -> inhomogenous system (more internal tuning is provided (sequential!)) // 1 -> inhomogenous system (more internal tuning is provided (sequential!))
if (strcmp(arg[1],"fmm_tuning") == 0) if (strcmp(arg[1],"fmm_tuning") == 0) {
{ if (me == 0)
if (screen && me == 0) fprintf(screen, utils::logmesg(lmp, "ScaFaCoS setting fmm inhomogen tuning ...\n");
"ScaFaCoS setting fmm inhomogen tuning ...\n");
if (logfile && me == 0) fprintf(logfile,
"ScaFaCoS setting fmm inhomogen tuning ...\n");
if (narg < 3) error->all(FLERR, if (narg < 3) error->all(FLERR,
"Illegal kspace_modify command (fmm_tuning)"); "Illegal kspace_modify command (fmm_tuning)");
fmm_tuning_flag = atoi(arg[2]); fmm_tuning_flag = utils::inumeric(FLERR, arg[2], false, tmp);
return 3; return 3;
} }