Searched refs:overlap_determinant (Results 1 – 3 of 3) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | almo_scf.F | 1739 almo_scf_env%overlap_determinant = 1.0
1746 …DO WHILE (almo_scf_env%overlap_determinant .GT. almo_scf_env%opt_nlmo_pcg%opt_penalty%final_determ…
1755 overlap_determinant=almo_scf_env%overlap_determinant, &
1766 overlap_determinant=almo_scf_env%overlap_determinant, &
1773 det_diff = prev_determinant - almo_scf_env%overlap_determinant
1781 prev_determinant = almo_scf_env%overlap_determinant
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| H A D | almo_scf_types.F | 247 REAL(KIND=dp) :: overlap_determinant component
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| H A D | almo_scf_optimizer.F | 2005 template_matrix_sigma, overlap_determinant, & argument
2014 REAL(KIND=dp), INTENT(INOUT) :: overlap_determinant local
2464 overlap_determinant=overlap_determinant, &
2912 print_string, overlap_determinant
6469 penalty_vol_prefactor, overlap_determinant, m_sigma, nocc, m_B0, & argument
6474 penalty_vol_prefactor, overlap_determinant local
6569 overlap_determinant = det1
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