Searched refs:lr_evals (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | xas_tdp_methods.F | 1913 NULLIFY (lr_evals, osc_str) 1922 lr_evals => donor_state%sc_evals 1926 lr_evals => donor_state%sg_evals 1934 nosc = SIZE(lr_evals) 2037 lr_evals => donor_state%sc_evals 2041 lr_evals => donor_state%sg_evals 2049 nosc = SIZE(lr_evals) 2399 nmo = SIZE(lr_evals) 2852 nex = SIZE(lr_evals) 2877 WRITE (rst_unit) lr_evals(:) [all …]
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H A D | xas_tdp_utils.F | 460 REAL(dp), DIMENSION(:), POINTER :: lr_evals local 472 NULLIFY (c_diff, c_sum, ex_struct, lr_evals, lr_coeffs) 596 ALLOCATE (lr_evals(nevals)) 597 lr_evals(:) = tmp_evals(first_ex:nocc + nevals) 608 ALLOCATE (lr_evals(nevals)) 609 lr_evals(:) = tmp_evals(first_ex:nocc + nevals) 634 donor_state%sc_evals => lr_evals 637 donor_state%sf_evals => lr_evals 640 donor_State%sg_evals => lr_evals 643 donor_state%tp_evals => lr_evals
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | xas_tdp_methods.F | 1917 NULLIFY (lr_evals, osc_str) 1926 lr_evals => donor_state%sc_evals 1930 lr_evals => donor_state%sg_evals 1938 nosc = SIZE(lr_evals) 2041 lr_evals => donor_state%sc_evals 2045 lr_evals => donor_state%sg_evals 2053 nosc = SIZE(lr_evals) 2403 nmo = SIZE(lr_evals) 2856 nex = SIZE(lr_evals) 2881 WRITE (rst_unit) lr_evals(:) [all …]
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H A D | xas_tdp_utils.F | 517 REAL(dp), DIMENSION(:), POINTER :: lr_evals local 529 NULLIFY (c_diff, c_sum, ex_struct, lr_evals, lr_coeffs) 653 ALLOCATE (lr_evals(nevals)) 654 lr_evals(:) = tmp_evals(first_ex:nocc + nevals) 665 ALLOCATE (lr_evals(nevals)) 666 lr_evals(:) = tmp_evals(first_ex:nocc + nevals) 691 donor_state%sc_evals => lr_evals 694 donor_state%sf_evals => lr_evals 697 donor_State%sg_evals => lr_evals 700 donor_state%tp_evals => lr_evals
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