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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dxas_tdp_methods.F1913 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 …]
H A Dxas_tdp_utils.F460 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
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dxas_tdp_methods.F1917 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 …]
H A Dxas_tdp_utils.F517 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