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Merge remote-tracking branch 'origin/master' into refactor-table-reading

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This commit is contained in:
Richard Berger
2020-06-05 12:09:57 -04:00
parent cd08dc8425 863828540a
commit 7df387f7d5
65 changed files with 647 additions and 837 deletions
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9
src/molecule.cpp
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@ -26,6 +26,7 @@
#include "memory.h"
#include "error.h"
#include "utils.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;
@ -1721,11 +1722,9 @@ void Molecule::deallocate()
void Molecule::open(char *file)
{
fp = fopen(file,"r");
if (fp == NULL) {
char str[128];
snprintf(str,128,"Cannot open molecule file %s",file);
error->one(FLERR,str);
}
if (fp == NULL)
error->one(FLERR,fmt::format("Cannot open molecule file {}: {}",
file, utils::getsyserror()));
}
/* ----------------------------------------------------------------------