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Paolo Giannozzi 6f5ef00240 Cleanup of "basis" module 
- There are two files called atomic_wfc_mod but no module with such name
- The closest thing to atomic_wfc_mod is the mysteriously called "basis" module
- It also contains variables used to start self-consistency that have little in common with those for atomic wavefunctions
- These have been moved to a different module, temporarily called "starting_scf" (better ideas welcome)
 		2024-04-30 15:18:45 +02:00
..
Makefile Merge branch 'develop' into spawoc 2023-11-03 17:51:38 +01:00
hp_R_points.f90 Implementation of the new code hp.x to compute Hubbard U from DFPT. 2018-08-29 14:54:42 +02:00
hp_allocate_q.f90 Fix HP test-suite 2024-04-23 14:28:46 +02:00
hp_bcast_input.f90 Add a new keyword for the HP code 2023-01-27 14:22:33 +00:00
hp_calc_chi.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_check_pert.f90 Implementation of the new code hp.x to compute Hubbard U from DFPT. 2018-08-29 14:54:42 +02:00
hp_check_type.f90 Various improvements in the HP code 2021-11-27 21:13:27 +00:00
hp_clean_q.f90 twfcollect variable deleted. It is still mentioned here and there, still written 2019-01-26 18:26:16 +01:00
hp_close_q.f90 Use sternheimer_kernel in HP 2021-08-30 18:27:49 +09:00
hp_dealloc_1.f90 Move adddvhubscf and adddvscf_ph_mag from PH to LR_Modules. Create ldaU_lr 2021-08-30 15:38:06 +09:00
hp_dealloc_2.f90 1. Extension of the HP code to compute also inter-site V (DFT+U+V case) 2020-04-17 11:01:51 +00:00
hp_dealloc_q.f90 Fix HP test-suite 2024-04-23 14:28:46 +02:00
hp_dnsq.f90 HP: ZGEMM implementation without conjugation of proj1 and proj2 matrices 2024-04-18 13:50:33 +02:00
hp_dnstot_sum_q.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_dvpsi_pert.f90 HP: ZGEMM implementation without conjugation of proj1 and proj2 matrices 2024-04-18 13:50:33 +02:00
hp_find_inequiv_sites.f90 Added a new option in the HP code (find_atpert = 4) to perturb all Hubbard atoms 2022-03-16 09:28:49 +00:00
hp_generate_grids.f90 Move adddvhubscf and adddvscf_ph_mag from PH to LR_Modules. Create ldaU_lr 2021-08-30 15:38:06 +09:00
hp_init.f90 HP: Changed name of some input variables to make then more 2018-08-30 18:20:33 +02:00
hp_init_q.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_load_q.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_main.f90 Merge branch 'develop' into spawoc 2023-11-03 17:51:38 +01:00
hp_ns_trace.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_openfil_q.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_postproc.f90 [skip-CI] Removed file upftest.f90 erroneously added, moved two small functions 2023-04-12 18:04:13 +02:00
hp_prepare_q.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_print_clock.f90 Add timers to PH and HP 2021-10-04 22:45:25 +09:00
hp_psym_dmag.f90 Addition of hp_psym_dmag.f90 and hp_sym_dmag.f90 2022-08-21 10:02:06 +02:00
hp_psymdvscf.f90 Implementation of the new code hp.x to compute Hubbard U from DFPT. 2018-08-29 14:54:42 +02:00
hp_q_points.f90 Bugfix in the HP code 2022-07-31 07:07:52 +00:00
hp_read_chi.f90 Implementation of the new code hp.x to compute Hubbard U from DFPT. 2018-08-29 14:54:42 +02:00
hp_read_dnsq.f90 Move adddvhubscf and adddvscf_ph_mag from PH to LR_Modules. Create ldaU_lr 2021-08-30 15:38:06 +09:00
hp_readin.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_rotate_dnsq.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_run_nscf.f90 Cleanup of "basis" module 2024-04-30 15:18:45 +02:00
hp_setup_q.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_solve_linear_system.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_stop_smoothly.f90 Implementation of the new code hp.x to compute Hubbard U from DFPT. 2018-08-29 14:54:42 +02:00
hp_summary.f90 1. Extension of the HP code to compute also inter-site V (DFT+U+V case) 2020-04-17 11:01:51 +00:00
hp_summary_q.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_sym_dmag.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_symdnsq.f90 bugfix hp_symdnsq, and polished examples 2023-12-06 14:24:26 +01:00
hp_symdvscf.f90 DFT+Hubbard noncollinear (cleanup) 2023-11-29 09:55:22 +00:00
hp_write_chi.f90 Change the format of printing chi matrices in HP 2021-07-09 17:25:20 +00:00
hp_write_chi_full.f90 Change the format of printing chi matrices in HP 2021-07-09 17:25:20 +00:00
hp_write_dnsq.f90 Move adddvhubscf and adddvscf_ph_mag from PH to LR_Modules. Create ldaU_lr 2021-08-30 15:38:06 +09:00
hpcom.f90 Merge branch 'develop' of https://gitlab.com/QEF/q-e into develop 2023-03-22 11:25:58 +01:00