| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | kpoint_types.F | 27 use_real_wfn
140 LOGICAL :: use_real_wfn component
197 kpoint%use_real_wfn = .FALSE.
326 use_real_wfn local
360 IF (PRESENT(use_real_wfn)) use_real_wfn = kpoint%use_real_wfn
432 use_real_wfn local
466 IF (PRESENT(use_real_wfn)) kpoint%use_real_wfn = use_real_wfn
592 CASE (use_real_wfn)
593 kpoint%use_real_wfn = .TRUE.
595 kpoint%use_real_wfn = .FALSE.
[all …]
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| H A D | qs_scf_csr_write.F | 186 LOGICAL :: bin, uptr, use_real_wfn local
217 CALL get_kpoint_info(kpoints, xkp=xkp, use_real_wfn=use_real_wfn, kp_range=kp_range, &
226 IF (.NOT. use_real_wfn) THEN
255 IF (use_real_wfn) THEN
296 IF (.NOT. use_real_wfn) THEN
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| H A D | input_cp2k_kpoints.F | 32 INTEGER, PARAMETER :: use_real_wfn = 101, & variable
36 PUBLIC :: use_real_wfn, use_complex_wfn
147 enum_i_vals=(/use_real_wfn, use_complex_wfn/))
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| H A D | qs_scf_diagonalization.F | 357 LOGICAL :: my_kpgrp, use_real_wfn local
378 … CALL get_kpoint_info(kpoints, nkp=nkp, xkp=xkp, use_real_wfn=use_real_wfn, kp_range=kp_range, &
404 IF (use_real_wfn) THEN
430 IF (use_real_wfn) THEN
467 IF (use_real_wfn) THEN
502 IF (use_real_wfn) THEN
521 IF (use_real_wfn) THEN
555 IF (use_real_wfn) THEN
586 IF (use_real_wfn) THEN
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| H A D | qs_gamma2kp.F | 77 kpoint%use_real_wfn = .TRUE.
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| H A D | kpoint_methods.F | 244 IF (kpoint%use_real_wfn) THEN
454 IF (kpoint%use_real_wfn) THEN
940 IF (kpoint%use_real_wfn) THEN
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| H A D | qs_band_structure.F | 350 kpoint%use_real_wfn = .FALSE.
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| H A D | qs_wannier90.F | 250 kpoint%use_real_wfn = .FALSE.
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| H A D | rpa_im_time.F | 893 CPASSERT(kpoint%use_real_wfn .EQV. .FALSE.)
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| H A D | mp2_integrals.F | 1350 kpoints%use_real_wfn = .FALSE.
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| H A D | rpa_gw.F | 2673 kpoints%use_real_wfn = .FALSE.
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | kpoint_types.F | 27 use_real_wfn
140 LOGICAL :: use_real_wfn component
197 kpoint%use_real_wfn = .FALSE.
326 use_real_wfn local
360 IF (PRESENT(use_real_wfn)) use_real_wfn = kpoint%use_real_wfn
432 use_real_wfn local
466 IF (PRESENT(use_real_wfn)) kpoint%use_real_wfn = use_real_wfn
592 CASE (use_real_wfn)
593 kpoint%use_real_wfn = .TRUE.
595 kpoint%use_real_wfn = .FALSE.
[all …]
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| H A D | input_cp2k_kpoints.F | 32 INTEGER, PARAMETER :: use_real_wfn = 101, & variable
36 PUBLIC :: use_real_wfn, use_complex_wfn
147 enum_i_vals=(/use_real_wfn, use_complex_wfn/))
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| H A D | qs_scf_diagonalization.F | 348 LOGICAL :: my_kpgrp, use_real_wfn local
369 … CALL get_kpoint_info(kpoints, nkp=nkp, xkp=xkp, use_real_wfn=use_real_wfn, kp_range=kp_range, &
395 IF (use_real_wfn) THEN
421 IF (use_real_wfn) THEN
458 IF (use_real_wfn) THEN
493 IF (use_real_wfn) THEN
512 IF (use_real_wfn) THEN
546 IF (use_real_wfn) THEN
577 IF (use_real_wfn) THEN
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| H A D | qs_gamma2kp.F | 77 kpoint%use_real_wfn = .TRUE.
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| H A D | kpoint_methods.F | 244 IF (kpoint%use_real_wfn) THEN
454 IF (kpoint%use_real_wfn) THEN
940 IF (kpoint%use_real_wfn) THEN
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| H A D | qs_band_structure.F | 331 kpoint%use_real_wfn = .FALSE.
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| H A D | qs_wannier90.F | 250 kpoint%use_real_wfn = .FALSE.
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| H A D | rpa_im_time.F | 3585 CPASSERT(kpoint%use_real_wfn .EQV. .FALSE.)
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| H A D | mp2_integrals.F | 1489 kpoints%use_real_wfn = .FALSE.
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| H A D | rpa_gw.F | 2924 kpoints%use_real_wfn = .FALSE.
|