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make more use of std::string and fmtlib where beneficial

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This commit is contained in:
Axel Kohlmeyer
2020-06-25 21:13:14 -04:00
parent 8caa3e188c
commit 3c78ad0a70
7 changed files with 46 additions and 68 deletions
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47
src/group.cpp
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@ -15,6 +15,7 @@
#include <mpi.h>
#include <cmath>
#include <cstring>
#include <string>
#include <utility>
#include "domain.h"
#include "atom.h"
@ -32,6 +33,7 @@
#include "memory.h"
#include "error.h"
#include "utils.h"
#include "fmt/format.h"
#include <map>
@ -123,11 +125,9 @@ void Group::assign(int narg, char **arg)
for (i = 0; i < nlocal; i++) mask[i] &= bits;
if (dynamic[igroup]) {
int n = strlen("GROUP_") + strlen(names[igroup]) + 1;
char *fixID = new char[n];
sprintf(fixID,"GROUP_%s",names[igroup]);
modify->delete_fix(fixID);
delete [] fixID;
std::string fixID = "GROUP_";
fixID += names[igroup];
modify->delete_fix(fixID.c_str());
}
delete [] names[igroup];
@ -492,27 +492,23 @@ void Group::assign(int narg, char **arg)
// if group is already dynamic, delete existing FixGroup
if (dynamic[igroup]) {
int n = strlen("GROUP_") + strlen(names[igroup]) + 1;
char *fixID = new char[n];
sprintf(fixID,"GROUP_%s",names[igroup]);
modify->delete_fix(fixID);
delete [] fixID;
std::string fixID = "GROUP_";
fixID += names[igroup];
modify->delete_fix(fixID.c_str());
}
dynamic[igroup] = 1;
int n = strlen("GROUP_") + strlen(names[igroup]) + 1;
char *fixID = new char[n];
sprintf(fixID,"GROUP_%s",names[igroup]);
std::string fixID = "GROUP_";
fixID += names[igroup];
char **newarg = new char*[narg];
newarg[0] = fixID;
newarg[0] = (char *)fixID.c_str();
newarg[1] = arg[2];
newarg[2] = (char *) "GROUP";
for (int i = 3; i < narg; i++) newarg[i] = arg[i];
modify->add_fix(narg,newarg);
delete [] newarg;
delete [] fixID;
// style = static
// remove dynamic FixGroup if necessary
@ -522,11 +518,9 @@ void Group::assign(int narg, char **arg)
if (narg != 2) error->all(FLERR,"Illegal group command");
if (dynamic[igroup]) {
int n = strlen("GROUP_") + strlen(names[igroup]) + 1;
char *fixID = new char[n];
sprintf(fixID,"GROUP_%s",names[igroup]);
modify->delete_fix(fixID);
delete [] fixID;
std::string fixID = "GROUP_";
fixID += names[igroup];
modify->delete_fix(fixID.c_str());
}
dynamic[igroup] = 0;
@ -546,15 +540,10 @@ void Group::assign(int narg, char **arg)
MPI_Allreduce(&rlocal,&all,1,MPI_DOUBLE,MPI_SUM,world);
if (me == 0) {
if (dynamic[igroup]) {
if (screen) fprintf(screen,"dynamic group %s defined\n",names[igroup]);
if (logfile) fprintf(logfile,"dynamic group %s defined\n",names[igroup]);
} else {
if (screen)
fprintf(screen,"%.15g atoms in group %s\n",all,names[igroup]);
if (logfile)
fprintf(logfile,"%.15g atoms in group %s\n",all,names[igroup]);
}
if (dynamic[igroup])
utils::logmesg(lmp,fmt::format("dynamic group {} defined\n",names[igroup]));
else
utils::logmesg(lmp,fmt::format("{:.15g} atoms in group {}\n",all,names[igroup]));
}
}