set stores_ids flag for some fixes as suggested by @sjplimp

This commit is contained in:
Axel Kohlmeyer
2025-03-07 12:43:32 -05:00
parent 0a1e3fa26a
commit 388f279633
5 changed files with 5 additions and 0 deletions

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@ -82,6 +82,7 @@ FixAmoebaBiTorsion::FixAmoebaBiTorsion(LAMMPS *lmp, int narg, char **arg) :
wd_section = 1; wd_section = 1;
respa_level_support = 1; respa_level_support = 1;
ilevel_respa = 0; ilevel_respa = 0;
stores_ids = 1;
MPI_Comm_rank(world,&me); MPI_Comm_rank(world,&me);
MPI_Comm_size(world,&nprocs); MPI_Comm_size(world,&nprocs);

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@ -62,6 +62,7 @@ FixAmoebaPiTorsion::FixAmoebaPiTorsion(LAMMPS *lmp, int narg, char **arg) :
wd_section = 1; wd_section = 1;
respa_level_support = 1; respa_level_support = 1;
ilevel_respa = 0; ilevel_respa = 0;
stores_ids = 1;
MPI_Comm_rank(world,&me); MPI_Comm_rank(world,&me);
MPI_Comm_size(world,&nprocs); MPI_Comm_size(world,&nprocs);

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@ -60,6 +60,7 @@ FixSMD_TLSPH_ReferenceConfiguration::FixSMD_TLSPH_ReferenceConfiguration(LAMMPS
if (atom->map_style == Atom::MAP_NONE) if (atom->map_style == Atom::MAP_NONE)
error->all(FLERR, "Pair tlsph with partner list requires an atom map, see atom_modify"); error->all(FLERR, "Pair tlsph with partner list requires an atom map, see atom_modify");
stores_ids = 1;
maxpartner = 1; maxpartner = 1;
npartner = nullptr; npartner = nullptr;
partner = nullptr; partner = nullptr;

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@ -87,6 +87,7 @@ FixCMAP::FixCMAP(LAMMPS *lmp, int narg, char **arg) :
respa_level_support = 1; respa_level_support = 1;
ilevel_respa = 0; ilevel_respa = 0;
eflag_caller = 1; eflag_caller = 1;
stores_ids = 1;
// allocate memory for CMAP data // allocate memory for CMAP data

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@ -52,6 +52,7 @@ FixPeriNeigh::FixPeriNeigh(LAMMPS *lmp,int narg, char **arg) :
restart_global = 1; restart_global = 1;
restart_peratom = 1; restart_peratom = 1;
first = 1; first = 1;
stores_ids = 1;
// perform initial allocation of atom-based arrays // perform initial allocation of atom-based arrays
// register with atom class // register with atom class