| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | admm_utils.F | 28 do_admm_purify_none
111 CASE (do_admm_purify_mo_no_diag, do_admm_purify_none, do_admm_purify_cauchy)
170 CASE (do_admm_purify_mo_no_diag, do_admm_purify_none, do_admm_purify_cauchy)
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| H A D | rtp_admm_methods.F | 35 do_admm_purify_none
182 CASE (do_admm_purify_none)
250 CASE (do_admm_purify_none)
453 CASE (do_admm_purify_none)
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| H A D | admm_methods.F | 64 do_admm_purify_none
461 CASE (do_admm_purify_none)
509 CASE (do_admm_purify_none, do_admm_purify_cauchy, do_admm_purify_cauchy_subspace)
2044 admm_env%purification_method == do_admm_purify_none)) THEN
2065 IF (.NOT. admm_env%purification_method == do_admm_purify_none) THEN
2091 IF (.NOT. (admm_env%purification_method == do_admm_purify_none)) THEN
2168 IF (.NOT. (admm_env%purification_method == do_admm_purify_none)) THEN
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| H A D | qs_core_hamiltonian.F | 99 USE input_constants, ONLY: do_admm_purify_none,&
239 IF (dft_control%admm_control%purification_method /= do_admm_purify_none) &
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| H A D | qs_force.F | 35 USE input_constants, ONLY: do_admm_purify_none
375 IF (admm_env%purification_method == do_admm_purify_none) THEN
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| H A D | input_constants.F | 789 INTEGER, PARAMETER, PUBLIC :: do_admm_purify_none = 1, & variable
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| H A D | mp2.F | 67 cholesky_inverse, cholesky_off, do_admm_basis_projection, do_admm_purify_none, do_eri_gpw, &
1334 CPASSERT(admm_env%purification_method == do_admm_purify_none)
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| H A D | cp_control_utils.F | 31 do_admm_purify_mo_no_diag, do_admm_purify_none, do_admm_purify_none_dm, &
271 dft_control%admm_control%purification_method /= do_admm_purify_none) THEN
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| H A D | qs_linres_methods.F | 62 do_admm_purify_none, do_loc_none, kg_tnadd_embed, op_loc_berry, ot_precond_none, &
1546 IF (dft_control%admm_control%purification_method /= do_admm_purify_none) THEN
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| H A D | input_cp2k_dft.F | 48 do_admm_purify_mo_no_diag, do_admm_purify_none, do_admm_purify_none_dm, do_arnoldi, &
3532 enum_i_vals=(/do_admm_purify_none, do_admm_purify_cauchy, do_admm_purify_cauchy_subspace, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | admm_utils.F | 28 do_admm_purify_none
111 CASE (do_admm_purify_mo_no_diag, do_admm_purify_none, do_admm_purify_cauchy)
170 CASE (do_admm_purify_mo_no_diag, do_admm_purify_none, do_admm_purify_cauchy)
|
| H A D | rtp_admm_methods.F | 35 do_admm_purify_none
174 CASE (do_admm_purify_none)
242 CASE (do_admm_purify_none)
445 CASE (do_admm_purify_none)
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| H A D | admm_methods.F | 57 do_admm_purify_none
232 CASE (do_admm_purify_none)
280 CASE (do_admm_purify_none, do_admm_purify_cauchy, do_admm_purify_cauchy_subspace)
1751 admm_env%purification_method == do_admm_purify_none)) THEN
1772 IF (.NOT. admm_env%purification_method == do_admm_purify_none) THEN
1798 IF (.NOT. (admm_env%purification_method == do_admm_purify_none)) THEN
1875 IF (.NOT. (admm_env%purification_method == do_admm_purify_none)) THEN
|
| H A D | qs_core_hamiltonian.F | 99 USE input_constants, ONLY: do_admm_purify_none,&
239 IF (dft_control%admm_control%purification_method /= do_admm_purify_none) &
|
| H A D | qs_force.F | 34 USE input_constants, ONLY: do_admm_purify_none
374 IF (admm_env%purification_method == do_admm_purify_none) THEN
|
| H A D | input_constants.F | 781 INTEGER, PARAMETER, PUBLIC :: do_admm_purify_none = 1, & variable
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| H A D | mp2.F | 70 cholesky_inverse, do_admm_basis_projection, do_admm_purify_none, do_eri_gpw, do_eri_mme, &
1333 CPASSERT(admm_env%purification_method == do_admm_purify_none)
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| H A D | cp_control_utils.F | 31 do_admm_purify_mo_no_diag, do_admm_purify_none, do_admm_purify_none_dm, &
269 dft_control%admm_control%purification_method /= do_admm_purify_none) THEN
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| H A D | input_cp2k_dft.F | 46 do_admm_purify_mo_no_diag, do_admm_purify_none, do_admm_purify_none_dm, do_arnoldi, &
3332 enum_i_vals=(/do_admm_purify_none, do_admm_purify_cauchy, do_admm_purify_cauchy_subspace, &
|