Searched refs:work_forces (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | hfx_libint_interface.F | 409 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 …]
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H A D | libint_wrapper.F | 434 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)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | hfx_libint_interface.F | 409 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 …]
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H A D | libint_wrapper.F | 432 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)
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