Searched refs:pot_opbend (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | fist_force.F | 85 REAL(KIND=dp) :: pot_opbend component
125 pot_nonbond, pot_opbend, pot_shell, pot_torsion, pot_urey_bradley, vg_coulomb, xdum1, & local
274 pot_opbend = 0.0_dp
525 … pot_torsion, pot_imptors, pot_opbend, pot_shell, pv_bond, pv_bend, &
534 … pot_torsion, pot_imptors, pot_opbend, pot_shell, pv_bond, pv_bend, &
569 xdum3 = cp_unit_from_cp2k(pot_opbend, "kcalmol")
585 thermo%pot = pot_nonbond + pot_bond + pot_bend + pot_torsion + pot_opbend + &
820 CALL mp_sum(pot_opbend, para_env%group)
821 debug%pot_opbend = pot_opbend
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| H A D | fist_intra_force.F | 82 … pot_opbend, pot_shell, pv_bond, pv_bend, pv_urey_bradley, pv_torsion, & argument
93 pot_opbend, pot_shell local
145 pot_opbend = 0.0_dp
531 pot_opbend = pot_opbend + energy
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | fist_force.F | 85 REAL(KIND=dp) :: pot_opbend component
125 pot_nonbond, pot_opbend, pot_shell, pot_torsion, pot_urey_bradley, vg_coulomb, xdum1, & local
274 pot_opbend = 0.0_dp
525 … pot_torsion, pot_imptors, pot_opbend, pot_shell, pv_bond, pv_bend, &
534 … pot_torsion, pot_imptors, pot_opbend, pot_shell, pv_bond, pv_bend, &
569 xdum3 = cp_unit_from_cp2k(pot_opbend, "kcalmol")
585 thermo%pot = pot_nonbond + pot_bond + pot_bend + pot_torsion + pot_opbend + &
820 CALL mp_sum(pot_opbend, para_env%group)
821 debug%pot_opbend = pot_opbend
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| H A D | fist_intra_force.F | 82 … pot_opbend, pot_shell, pv_bond, pv_bend, pv_urey_bradley, pv_torsion, & argument
93 pot_opbend, pot_shell local
145 pot_opbend = 0.0_dp
531 pot_opbend = pot_opbend + energy
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