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

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dhfx_libint_interface.F409 work_forces(ncoa*ncob*ncoc*ncod, 12) local
477 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
484 work(j, k) = work(j, k) + work_forces(j, k)
572 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
579 work(j, k) = work(j, k) + work_forces(j, k)
667 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
761 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
855 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
950 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
1045 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
[all …]
H A Dlibint_wrapper.F434 SUBROUTINE cp_libint_get_derivs(n_d, n_c, n_b, n_a, lib, work_forces, a_mysize) argument
438 (n_d), 12) :: work_forces local
457 work_forces(i, k) = p_work(i)
466 MARK_USED(work_forces)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dhfx_libint_interface.F409 work_forces(ncoa*ncob*ncoc*ncod, 12) local
477 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
484 work(j, k) = work(j, k) + work_forces(j, k)
572 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
579 work(j, k) = work(j, k) + work_forces(j, k)
667 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
761 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
855 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
950 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
1045 work_forces(j, k) = -1.0_dp*(work_forces(j, k - 3) + &
[all …]
H A Dlibint_wrapper.F432 SUBROUTINE cp_libint_get_derivs(n_d, n_c, n_b, n_a, lib, work_forces, a_mysize) argument
436 (n_d), 12) :: work_forces local
454 work_forces(i, k) = p_work(i)
463 MARK_USED(work_forces)