Searched refs:pot_nonbond_local (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | fist_pol_scf.F | 199 CALL mp_sum(pot_nonbond_local, logger%para_env%group)
270 rmsd, vg_coulomb + pot_nonbond_local + thermo%e_induction
285 particle_set, local_particles, vg_coulomb, pot_nonbond_local, thermo, &
291 pot_nonbond = pot_nonbond + pot_nonbond_local
292 CALL mp_sum(pot_nonbond_local, logger%para_env%group)
297 vg_coulomb + pot_nonbond_local + thermo%e_induction
380 pot_nonbond_local, rmsd local
413 particle_set, local_particles, vg_coulomb, pot_nonbond_local, thermo, &
616 pot_nonbond = pot_nonbond + pot_nonbond_local
617 CALL mp_sum(pot_nonbond_local, logger%para_env%group)
[all …]
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | fist_pol_scf.F | 199 CALL mp_sum(pot_nonbond_local, logger%para_env%group)
270 rmsd, vg_coulomb + pot_nonbond_local + thermo%e_induction
285 particle_set, local_particles, vg_coulomb, pot_nonbond_local, thermo, &
291 pot_nonbond = pot_nonbond + pot_nonbond_local
292 CALL mp_sum(pot_nonbond_local, logger%para_env%group)
297 vg_coulomb + pot_nonbond_local + thermo%e_induction
380 pot_nonbond_local, rmsd local
413 particle_set, local_particles, vg_coulomb, pot_nonbond_local, thermo, &
616 pot_nonbond = pot_nonbond + pot_nonbond_local
617 CALL mp_sum(pot_nonbond_local, logger%para_env%group)
[all …]
|