ICODE-ADC/lammps
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more use of fmtlib and std::string

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This commit is contained in:
Axel Kohlmeyer
2020-06-25 21:32:30 -04:00
parent 4816c5c7cc
commit e4a3a518f7
12 changed files with 94 additions and 162 deletions
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16
src/kspace.cpp
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@ -16,6 +16,7 @@
#include <cmath>
#include <cstdlib>
#include <cstring>
#include <string>
#include "atom.h"
#include "comm.h"
#include "force.h"
@ -25,6 +26,7 @@
#include "error.h"
#include "suffix.h"
#include "domain.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;
@ -307,10 +309,10 @@ void KSpace::qsum_qsq(int warning_flag)
// so issue warning or error
if (fabs(qsum) > SMALL) {
char str[128];
sprintf(str,"System is not charge neutral, net charge = %g",qsum);
if (!warn_nonneutral) error->all(FLERR,str);
if (warn_nonneutral == 1 && comm->me == 0) error->warning(FLERR,str);
std::string message = fmt::format("System is not charge neutral, net "
"charge = {}",qsum);
if (!warn_nonneutral) error->all(FLERR,message);
if (warn_nonneutral == 1 && comm->me == 0) error->warning(FLERR,message);
warn_nonneutral = 2;
}
}
@ -324,12 +326,10 @@ double KSpace::estimate_table_accuracy(double q2_over_sqrt, double spr)
double table_accuracy = 0.0;
int nctb = force->pair->ncoultablebits;
if (comm->me == 0) {
char str[128];
if (nctb)
sprintf(str," using %d-bit tables for long-range coulomb",nctb);
error->message(FLERR,fmt::format(" using {}-bit tables for long-range coulomb",nctb));
else
sprintf(str," using polynomial approximation for long-range coulomb");
error->message(FLERR,str);
error->message(FLERR," using polynomial approximation for long-range coulomb");
}
if (nctb) {