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cosmetic, more LAMMPS style

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This commit is contained in:
Axel Kohlmeyer
2025-03-30 23:37:11 -04:00
parent 677e8dd681
commit 1c609ef3e4
1 changed files with 15 additions and 15 deletions
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30
src/REACTION/fix_bond_react.cpp
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@ -577,9 +577,9 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
} }
for (int i = 0; i < nreacts; i++) { for (int i = 0; i < nreacts; i++) {
delete [] files[i]; delete[] files[i];
} }
delete [] files; delete[] files;
if (atom->molecular != Atom::MOLECULAR) if (atom->molecular != Atom::MOLECULAR)
error->all(FLERR,"Fix bond/react: Cannot use fix bond/react with non-molecular systems"); error->all(FLERR,"Fix bond/react: Cannot use fix bond/react with non-molecular systems");
@ -660,12 +660,12 @@ FixBondReact::~FixBondReact()
for (int i = 0; i < narrhenius; i++) { for (int i = 0; i < narrhenius; i++) {
delete rrhandom[i]; delete rrhandom[i];
} }
delete [] rrhandom; delete[] rrhandom;
for (int i = 0; i < nreacts; i++) { for (int i = 0; i < nreacts; i++) {
delete random[i]; delete random[i];
} }
delete [] random; delete[] random;
delete reset_mol_ids; delete reset_mol_ids;
@ -1650,14 +1650,14 @@ void FixBondReact::make_a_guess()
for (int i = 0; i < atom->ntypes; i++) { for (int i = 0; i < atom->ntypes; i++) {
if (mol_ntypes[i] != lcl_ntypes[i]) { if (mol_ntypes[i] != lcl_ntypes[i]) {
status = GUESSFAIL; status = GUESSFAIL;
delete [] mol_ntypes; delete[] mol_ntypes;
delete [] lcl_ntypes; delete[] lcl_ntypes;
return; return;
} }
} }
delete [] mol_ntypes; delete[] mol_ntypes;
delete [] lcl_ntypes; delete[] lcl_ntypes;
// okay everything seems to be in order. let's assign some ID pairs!!! // okay everything seems to be in order. let's assign some ID pairs!!!
neighbor_loop(); neighbor_loop();
@ -2784,7 +2784,7 @@ void FixBondReact::dedup_mega_gloves(int dedup_mode)
dedup_glove[j][k] = temp_rxn[j]; dedup_glove[j][k] = temp_rxn[j];
} }
} }
delete [] temp_rxn; delete[] temp_rxn;
for (int i = 0; i < dedup_size; i++) { for (int i = 0; i < dedup_size; i++) {
if (dedup_mask[i] == 0) { if (dedup_mask[i] == 0) {
@ -2841,7 +2841,7 @@ void FixBondReact::dedup_mega_gloves(int dedup_mode)
} }
memory->destroy(dedup_glove); memory->destroy(dedup_glove);
delete [] dedup_mask; delete[] dedup_mask;
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
@ -2955,7 +2955,7 @@ void FixBondReact::ghost_glovecast()
global_megasize = global_megasize + allncols[i]; global_megasize = global_megasize + allncols[i];
if (global_megasize == 0) { if (global_megasize == 0) {
delete [] allncols; delete[] allncols;
return; return;
} }
@ -3004,8 +3004,8 @@ void FixBondReact::ghost_glovecast()
MPI_Bcast(&global_megasize,1,MPI_INT,0,world); MPI_Bcast(&global_megasize,1,MPI_INT,0,world);
MPI_Bcast(&(global_mega_glove[0][0]), global_megasize, column, 0, world); MPI_Bcast(&(global_mega_glove[0][0]), global_megasize, column, 0, world);
delete [] allstarts; delete[] allstarts;
delete [] allncols; delete[] allncols;
MPI_Type_free(&column); MPI_Type_free(&column);
MPI_Type_free(&columnunsized); MPI_Type_free(&columnunsized);
@ -3148,7 +3148,7 @@ void FixBondReact::update_everything()
update_num_mega++; update_num_mega++;
} }
} }
delete [] noccur; delete[] noccur;
// find current max molecule ID and shift for each proc // find current max molecule ID and shift for each proc
tagint moloffset = 0; tagint moloffset = 0;
@ -4400,7 +4400,7 @@ void FixBondReact::ReadConstraints(char *line, int myrxn)
} else error->one(FLERR,"Fix bond/react: Illegal constraint type in 'Constraints' section of map file"); } else error->one(FLERR,"Fix bond/react: Illegal constraint type in 'Constraints' section of map file");
} }
strcat(constraintstr[myrxn],")"); // close boolean constraint logic string strcat(constraintstr[myrxn],")"); // close boolean constraint logic string
delete [] constraint_type; delete[] constraint_type;
memory->destroy(strargs); memory->destroy(strargs);
} }