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ensure backward compatibility of restarts

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This commit is contained in:
Jacob Gissinger
2022-11-11 15:28:36 -05:00
parent aaa8e9d219
commit 0890bc026e
1 changed files with 13 additions and 8 deletions
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21
src/REACTION/fix_bond_react.cpp
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@ -4503,18 +4503,23 @@ void FixBondReact::write_restart(FILE *fp)
/* ----------------------------------------------------------------------
use selected state info from restart file to restart the Fix
bond/react restart format was updated after LAMMPS version 3 Nov 2022
------------------------------------------------------------------------- */
void FixBondReact::restart(char *buf)
{
Set *set_restart = (Set *) buf;
int r_nreacts = set_restart[0].nreacts;
int r_max_rate_limit_steps = set_restart[0].max_rate_limit_steps;
int r_nreacts,r_max_rate_limit_steps,ibufcount,n2cpy;
int **ibuf;
int ibufcount = r_max_rate_limit_steps*r_nreacts;
memory->create(ibuf,r_max_rate_limit_steps,r_nreacts,"bond/react:ibuf");
memcpy(&ibuf[0][0],&buf[nreacts*sizeof(Set)],sizeof(int)*ibufcount);
int n2cpy = r_max_rate_limit_steps;
Set *set_restart = (Set *) buf;
r_nreacts = set_restart[0].nreacts;
if (lmp->restart_ver > utils::date2num("3 Nov 2022")) {
r_max_rate_limit_steps = set_restart[0].max_rate_limit_steps;
ibufcount = r_max_rate_limit_steps*r_nreacts;
memory->create(ibuf,r_max_rate_limit_steps,r_nreacts,"bond/react:ibuf");
memcpy(&ibuf[0][0],&buf[nreacts*sizeof(Set)],sizeof(int)*ibufcount);
n2cpy = r_max_rate_limit_steps;
} else n2cpy = 0;
if (max_rate_limit_steps < n2cpy) n2cpy = max_rate_limit_steps;
for (int i = 0; i < r_nreacts; i++) {
for (int j = 0; j < nreacts; j++) {
@ -4526,7 +4531,7 @@ void FixBondReact::restart(char *buf)
}
}
}
memory->destroy(ibuf);
if (lmp->restart_ver > utils::date2num("3 Nov 2022")) memory->destroy(ibuf);
}
/* ----------------------------------------------------------------------