Searched refs:fcore_shell_bonded (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | fist_force.F | 128 fcore_shell_bonded, fcore_total, fg_coulomb, fgcore_coulomb, fgshell_coulomb, & local
541 ALLOCATE (fcore_shell_bonded(3, nshell))
542 fcore_shell_bonded = 0.0_dp
546 fcore_shell_bonded(1:3, shell_index) = particle_set(i)%f(1:3)
549 CALL mp_sum(fcore_shell_bonded, para_env%group)
553 particle_set(i)%f(1:3) = fcore_shell_bonded(1:3, shell_index)
556 DEALLOCATE (fcore_shell_bonded)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | fist_force.F | 128 fcore_shell_bonded, fcore_total, fg_coulomb, fgcore_coulomb, fgshell_coulomb, & local
541 ALLOCATE (fcore_shell_bonded(3, nshell))
542 fcore_shell_bonded = 0.0_dp
546 fcore_shell_bonded(1:3, shell_index) = particle_set(i)%f(1:3)
549 CALL mp_sum(fcore_shell_bonded, para_env%group)
553 particle_set(i)%f(1:3) = fcore_shell_bonded(1:3, shell_index)
556 DEALLOCATE (fcore_shell_bonded)
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