ICODE-ADC/lammps
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Merge branch 'master' into multi_epcc

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This commit is contained in:
Axel Kohlmeyer
2021-05-12 06:16:52 -04:00
parent f12f9166a5 ee546e2fa3
commit f0e52981f2
195 changed files with 16033 additions and 8009 deletions
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12
src/pair.cpp
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@ -30,6 +30,7 @@
#include "neighbor.h"
#include "suffix.h"
#include "update.h"
#include "fmt/chrono.h"
#include <cfloat> // IWYU pragma: keep
#include <climits> // IWYU pragma: keep
@ -1739,14 +1740,13 @@ void Pair::write_file(int narg, char **arg)
table_file, date);
fp = fopen(table_file.c_str(),"a");
} else {
char datebuf[16];
time_t tv = time(nullptr);
strftime(datebuf,15,"%Y-%m-%d",localtime(&tv));
utils::logmesg(lmp,"Creating table file {} with DATE: {}\n",
table_file, datebuf);
std::tm current_date = fmt::localtime(tv);
utils::logmesg(lmp,"Creating table file {} with DATE: {:%Y-%m-%d}\n",
table_file, current_date);
fp = fopen(table_file.c_str(),"w");
if (fp) fmt::print(fp,"# DATE: {} UNITS: {} Created by pair_write\n",
datebuf, update->unit_style);
if (fp) fmt::print(fp,"# DATE: {:%Y-%m-%d} UNITS: {} Created by pair_write\n",
current_date, update->unit_style);
}
if (fp == nullptr)
error->one(FLERR,"Cannot open pair_write file {}: {}",