Searched refs:vdW_ (Results 1 – 3 of 3) sorted by relevance
| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
| H A D | pw_init_qexsd_input.f90 | 107 TYPE(vdW_type),POINTER :: vdW_ local
131 …block_ptr, relaxz_ptr, block_1_ptr, block_2_ptr, block_height_ptr, zgate_ptr, dftU_, vdW_, hybrid_)
233 ALLOCATE (vdW_)
273 CALL qexsd_init_vdw(vdW_, NON_LOCAL_TERM = vdw_nonlocc_pt, VDW_CORR = vdw_corr_pointer, &
366 CALL qexsd_init_dft(obj%dft, TRIM(dft_name), hybrid_, vdW_, dftU_)
371 IF (ASSOCIATED(vdW_)) THEN
372 CALL qes_reset(vdW_)
373 DEALLOCATE(vdW_)
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/CPV/src/ |
| H A D | cp_restart_new.f90 | 170 TYPE (vdW_type),POINTER :: vdW_ local
186 NULLIFY ( vdW_, dftU_, hybrid_, non_locc_opt, vdw_corr_opt, ts_isol_opt )
338 CALL qexsd_init_vdw(vdW_, NON_LOCAL_TERM = non_locc_opt, VDW_CORR = vdw_corr_opt, &
344 CALL qexsd_init_dft(output_obj%dft, dft_name, hybrid_, vdW_, dftU_)
349 IF (ASSOCIATED(vdW_) ) THEN
350 CALL qes_reset(vdW_)
351 DEALLOCATE(vdW_)
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
| H A D | qexsd_init.f90 | 370 SUBROUTINE qexsd_init_dft (obj, functional, hybrid_, vdW_, dftU_) argument
375 TYPE(vdW_type),OPTIONAL,INTENT(IN) :: vdW_ local
378 CALL qes_init(obj, 'dft', functional, hybrid_, dftU_, vdW_)
|