Searched refs:natom_max (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_loc_molecules.F | 55 natom, natom_loc, natom_max, nkind, nmol, nstate local 76 natom_max = 0 83 natom_max = natom_max + natom 96 natom_loc = natom_max 97 natom = natom_max 99 CALL mp_max(natom_max, para_env%group) 101 ALLOCATE (r(3, natom_max)) 103 ALLOCATE (distance(natom_max))
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_loc_molecules.F | 55 natom, natom_loc, natom_max, nkind, nmol, nstate local 76 natom_max = 0 83 natom_max = natom_max + natom 96 natom_loc = natom_max 97 natom = natom_max 99 CALL mp_max(natom_max, para_env%group) 101 ALLOCATE (r(3, natom_max)) 103 ALLOCATE (distance(natom_max))
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/dports/science/lammps/lammps-stable_29Sep2021/src/GRANULAR/ |
H A D | fix_pour.cpp | 159 if (mode == ATOM) natom_max = 1; in FixPour() 161 natom_max = 0; in FixPour() 163 natom_max = MAX(natom_max,onemols[i]->natoms); in FixPour() 165 memory->create(coords,natom_max,4,"pour:coords"); in FixPour() 166 memory->create(imageflags,natom_max,"pour:imageflags"); in FixPour() 441 memory->create(xnear,nprevious+nnew*natom_max,4,"fix_pour:xnear"); in pre_exchange()
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H A D | fix_pour.h | 57 int nmol, natom_max; variable
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/dports/science/lammps/lammps-stable_29Sep2021/src/ |
H A D | fix_deposit.h | 51 int nmol, natom_max; variable
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H A D | fix_deposit.cpp | 137 if (mode == ATOM) natom_max = 1; in FixDeposit() 139 natom_max = 0; in FixDeposit() 141 natom_max = MAX(natom_max,onemols[i]->natoms); in FixDeposit() 143 memory->create(coords,natom_max,3,"deposit:coords"); in FixDeposit() 144 memory->create(imageflags,natom_max,"deposit:imageflags"); in FixDeposit()
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