| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | semi_empirical_store_int_types.F | 170 SUBROUTINE semi_empirical_si_initialize(store_int_env, geometry_did_change) argument
172 LOGICAL, INTENT(IN) :: geometry_did_change local
181 IF (geometry_did_change) THEN
225 SUBROUTINE semi_empirical_si_finalize(store_int_env, geometry_did_change) argument
227 LOGICAL, INTENT(IN) :: geometry_did_change local
236 IF (geometry_did_change) THEN
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| H A D | rtp_admm_methods.F | 208 mos, mos_aux_fit, rtp, rtp_coeff_aux_fit, geometry_did_change) argument
218 LOGICAL, INTENT(IN) :: geometry_did_change local
247 recalc_S = geometry_did_change .OR. (rtp%iter == 0 .AND. (rtp%istep == rtp%i_start))
280 mos, mos_aux_fit, rtp, rtp_coeff_aux_fit, geometry_did_change) argument
289 LOGICAL, INTENT(IN) :: geometry_did_change local
322 IF (geometry_did_change) THEN
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| H A D | hfx_ri.F | 756 geometry_did_change, nspins, hf_fraction) argument
764 LOGICAL, INTENT(IN) :: geometry_did_change local
856 geometry_did_change, nspins)
870 geometry_did_change, nspins)
912 homo, geometry_did_change, nspins) argument
918 LOGICAL, INTENT(IN) :: geometry_did_change local
954 IF (geometry_did_change) THEN
1155 IF (geometry_did_change) THEN
1329 geometry_did_change, nspins) argument
1368 IF (geometry_did_change) THEN
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| H A D | admm_methods.F | 529 mos, mos_aux_fit, geometry_did_change) argument
534 LOGICAL, INTENT(IN) :: geometry_did_change local
544 mos, geometry_did_change, &
572 mos, geometry_did_change, blocked) argument
576 LOGICAL, INTENT(IN) :: geometry_did_change, blocked local
594 IF (geometry_did_change) THEN
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| H A D | optimize_basis.F | 285 geometry_did_change=.TRUE.)
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| H A D | hfx_energy_potential.F | 135 geometry_did_change, irep, distribute_fock_matrix, & argument
145 LOGICAL :: geometry_did_change local
260 my_geo_change = geometry_did_change
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | semi_empirical_store_int_types.F | 170 SUBROUTINE semi_empirical_si_initialize(store_int_env, geometry_did_change) argument
172 LOGICAL, INTENT(IN) :: geometry_did_change local
181 IF (geometry_did_change) THEN
225 SUBROUTINE semi_empirical_si_finalize(store_int_env, geometry_did_change) argument
227 LOGICAL, INTENT(IN) :: geometry_did_change local
236 IF (geometry_did_change) THEN
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| H A D | rtp_admm_methods.F | 200 mos, mos_aux_fit, rtp, rtp_coeff_aux_fit, geometry_did_change) argument
210 LOGICAL, INTENT(IN) :: geometry_did_change local
239 recalc_S = geometry_did_change .OR. (rtp%iter == 0 .AND. (rtp%istep == rtp%i_start))
272 mos, mos_aux_fit, rtp, rtp_coeff_aux_fit, geometry_did_change) argument
281 LOGICAL, INTENT(IN) :: geometry_did_change local
314 IF (geometry_did_change) THEN
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| H A D | admm_methods.F | 300 mos, mos_aux_fit, geometry_did_change) argument
305 LOGICAL, INTENT(IN) :: geometry_did_change local
315 mos, geometry_did_change, &
343 mos, geometry_did_change, blocked) argument
347 LOGICAL, INTENT(IN) :: geometry_did_change, blocked local
365 IF (geometry_did_change) THEN
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| H A D | optimize_basis.F | 285 geometry_did_change=.TRUE.)
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| H A D | hfx_energy_potential.F | 135 geometry_did_change, irep, distribute_fock_matrix, & argument
145 LOGICAL :: geometry_did_change local
260 my_geo_change = geometry_did_change
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