Searched refs:pv_urey_bradley (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | fist_force.F | 132 pv_opbend, pv_torsion, pv_urey_bradley local 263 pv_urey_bradley = 0.0_dp 526 pv_urey_bradley, pv_torsion, pv_imptors, pv_opbend, & 535 pv_urey_bradley, pv_torsion, pv_imptors, pv_opbend, & 690 … virial%pv_virial = pv_nonbond + pv_bond + pv_bend + pv_torsion + pv_imptors + pv_urey_bradley 698 …rial%pv_virial = pv_nonbond + pv_bond + pv_bend + pv_torsion + pv_imptors + pv_urey_bradley + pv_bc 837 CALL mp_sum(pv_urey_bradley, para_env%group) 838 debug%pv_ub = pv_urey_bradley
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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 94 REAL(KIND=dp), DIMENSION(:, :), INTENT(INOUT) :: pv_bond, pv_bend, pv_urey_bradley, & local 266 IF (use_virial) CALL get_pv_bond(k2, rij, pv_urey_bradley)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | fist_force.F | 132 pv_opbend, pv_torsion, pv_urey_bradley local 263 pv_urey_bradley = 0.0_dp 526 pv_urey_bradley, pv_torsion, pv_imptors, pv_opbend, & 535 pv_urey_bradley, pv_torsion, pv_imptors, pv_opbend, & 690 … virial%pv_virial = pv_nonbond + pv_bond + pv_bend + pv_torsion + pv_imptors + pv_urey_bradley 698 …rial%pv_virial = pv_nonbond + pv_bond + pv_bend + pv_torsion + pv_imptors + pv_urey_bradley + pv_bc 837 CALL mp_sum(pv_urey_bradley, para_env%group) 838 debug%pv_ub = pv_urey_bradley
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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 94 REAL(KIND=dp), DIMENSION(:, :), INTENT(INOUT) :: pv_bond, pv_bend, pv_urey_bradley, & local 266 IF (use_virial) CALL get_pv_bond(k2, rij, pv_urey_bradley)
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