Searched refs:glob_natoms (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | force_env_methods.F | 910 ALLOCATE (glob_natoms(nforce_eval))
914 glob_natoms = 0
968 glob_natoms(iforce_eval) = natom
988 CALL mp_sum(glob_natoms, force_env%para_env%group)
1152 DEALLOCATE (glob_natoms)
1292 glob_natoms(iforce_eval) = natom
1397 NULLIFY (map_index, glob_natoms)
1407 ALLOCATE (glob_natoms(nforce_eval))
1410 glob_natoms = 0
1494 glob_natoms(iforce_eval) = natom
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| H A D | colvar_methods.F | 2168 INTEGER, DIMENSION(:), POINTER :: glob_natoms, map_index local
2210 … NULLIFY (values, parameters, subsystems, particles, global_forces, map_index, glob_natoms)
2212 ALLOCATE (glob_natoms(nforce_eval))
2218 glob_natoms = 0
2234 glob_natoms(iforce_eval) = natom_iforce
2240 CALL mp_sum(glob_natoms, force_env%para_env%group)
2244 ALLOCATE (global_forces(iforce_eval)%forces(3, glob_natoms(iforce_eval)))
2249 DO iparticle = 1, glob_natoms(iforce_eval)
2284 CALL get_subsys_map_index(mapping_section, glob_natoms(iforce_eval), iforce_eval, &
2288 DO iparticle = 1, glob_natoms(iforce_eval)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | force_env_methods.F | 948 ALLOCATE (glob_natoms(nforce_eval))
952 glob_natoms = 0
1006 glob_natoms(iforce_eval) = natom
1026 CALL mp_sum(glob_natoms, force_env%para_env%group)
1190 DEALLOCATE (glob_natoms)
1330 glob_natoms(iforce_eval) = natom
1435 NULLIFY (map_index, glob_natoms)
1445 ALLOCATE (glob_natoms(nforce_eval))
1448 glob_natoms = 0
1532 glob_natoms(iforce_eval) = natom
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| H A D | colvar_methods.F | 2168 INTEGER, DIMENSION(:), POINTER :: glob_natoms, map_index local
2210 … NULLIFY (values, parameters, subsystems, particles, global_forces, map_index, glob_natoms)
2212 ALLOCATE (glob_natoms(nforce_eval))
2218 glob_natoms = 0
2234 glob_natoms(iforce_eval) = natom_iforce
2240 CALL mp_sum(glob_natoms, force_env%para_env%group)
2244 ALLOCATE (global_forces(iforce_eval)%forces(3, glob_natoms(iforce_eval)))
2249 DO iparticle = 1, glob_natoms(iforce_eval)
2284 CALL get_subsys_map_index(mapping_section, glob_natoms(iforce_eval), iforce_eval, &
2288 DO iparticle = 1, glob_natoms(iforce_eval)
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