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Searched refs:pv_urey_bradley (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dfist_force.F132 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
H A Dfist_intra_force.F82 … 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)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dfist_force.F132 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
H A Dfist_intra_force.F82 … 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)