ICODE-ADC/lammps
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handle case of no LAMMPS instance or no simulation box

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This commit is contained in:
Axel Kohlmeyer
2024-06-26 01:30:14 -04:00
parent 89193c8a66
commit da2dc9a154
1 changed files with 9 additions and 2 deletions
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11
src/utils.cpp
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@ -17,6 +17,7 @@
#include "atom.h"
#include "comm.h"
#include "compute.h"
#include "domain.h"
#include "error.h"
#include "fix.h"
#include "fmt/chrono.h"
@ -650,7 +651,7 @@ template void utils::bounds<>(const char *, int, const std::string &,
// clang-format on
/* ----------------------------------------------------------------------
wrapper for bounds() that accepts type label input
wrapper for utils::bounds() that accepts type label input
------------------------------------------------------------------------- */
template <typename TYPE>
@ -658,9 +659,15 @@ void utils::bounds_typelabel(const char *file, int line, const std::string &str,
bigint nmax, TYPE &nlo, TYPE &nhi, LAMMPS *lmp, int mode)
{
nlo = nhi = -1;
char *typestr;
// cannot check for typelabels without a LAMMPS instance or a box
if (!lmp || !lmp->domain->box_exist)
utils::bounds(file, line, str, nmin, nmax, nlo, nhi, nullptr);
char *typestr = nullptr;
if ((typestr = utils::expand_type(FLERR, str, mode, lmp)))
nlo = nhi = utils::inumeric(FLERR, typestr, false, lmp);
delete[] typestr;
if (nlo > -1)
return;