Searched refs:pao_calc_energy (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | pao_main.F | 39 pao_build_matrix_X, pao_build_orthogonalizer, pao_build_selector, pao_calc_energy, &
253 CALL pao_calc_energy(pao, qs_env, ls_scf_env, energy)
312 CALL pao_calc_energy(pao, qs_env, ls_scf_env, energy)
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| H A D | pao_methods.F | 81 PUBLIC :: pao_calc_energy, pao_check_trace_ps
480 SUBROUTINE pao_calc_energy(pao, qs_env, ls_scf_env, energy) subroutine
518 END SUBROUTINE pao_calc_energy
1025 CALL pao_calc_energy(pao, qs_env, ls_scf_env, energy)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | pao_main.F | 39 pao_build_matrix_X, pao_build_orthogonalizer, pao_build_selector, pao_calc_energy, &
253 CALL pao_calc_energy(pao, qs_env, ls_scf_env, energy)
312 CALL pao_calc_energy(pao, qs_env, ls_scf_env, energy)
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| H A D | pao_methods.F | 81 PUBLIC :: pao_calc_energy, pao_check_trace_ps
480 SUBROUTINE pao_calc_energy(pao, qs_env, ls_scf_env, energy) subroutine
518 END SUBROUTINE pao_calc_energy
1025 CALL pao_calc_energy(pao, qs_env, ls_scf_env, energy)
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