| .. |
|
Makefile
|
XClib - lib name changed
|
2021-01-06 15:36:00 +01:00 |
|
bcast_lr_input.f90
|
Introduce a new input variable ethr_nscf in the turboEELS code.
|
2020-12-15 13:33:19 +01:00 |
|
dveqpsi_us.f90
|
solve make.depend conflict
|
2020-07-13 16:33:51 +00:00 |
|
dveqpsi_us_only.f90
|
solve make.depend conflict
|
2020-07-13 16:33:51 +00:00 |
|
linear_solvers.f90
|
solve make.depend conflict
|
2020-07-13 16:33:51 +00:00 |
|
lr_addus_dvpsi.f90
|
solve make.depend conflict
|
2020-07-13 16:33:51 +00:00 |
|
lr_alloc_init.f90
|
fix a bug in noncollinear case
|
2021-01-18 11:46:50 +01:00 |
|
lr_apply_liouvillian.f90
|
XClib - all in module xc_lib
|
2021-01-06 15:42:52 +01:00 |
|
lr_apply_liouvillian_eels.f90
|
Changes in TDDFPT:
|
2019-05-28 14:33:17 +00:00 |
|
lr_calc_dens.f90
|
Revised version of Iurii's patch for TDDFPT: unset_mpi_comm_4_solvers
|
2019-02-27 22:01:54 +01:00 |
|
lr_calc_dens_eels.f90
|
Revised version of Iurii's patch for TDDFPT: unset_mpi_comm_4_solvers
|
2019-02-27 22:01:54 +01:00 |
|
lr_calc_dens_eels_nc.f90
|
Bug fixes:
|
2020-07-03 17:40:46 +00:00 |
|
lr_charg_resp.f90
|
Revert "Merge branch 'revert-c25e9f31' into 'develop'"
|
2020-02-01 09:14:20 +00:00 |
|
lr_compute_intq.f90
|
solve make.depend conflict
|
2020-07-13 16:33:51 +00:00 |
|
lr_dav_debug.f90
|
Rename module wavefunctions_module to wavefunctions
|
2018-07-12 16:11:48 +02:00 |
|
lr_dav_main.f90
|
XClib - all in module xc_lib
|
2021-01-06 15:42:52 +01:00 |
|
lr_dav_routines.f90
|
More removal of unused references to DDOT
|
2020-01-09 15:33:14 +00:00 |
|
lr_dav_variables.f90
|
Some optimization of the TDDFPT code. Namely, the routine lr_apply_liouvillian(_eels) was giving sevc1_new on the output, but it was never used. So, it was removed. Also, some save of RAM due to the fact that there were sevc1_new(:,:,:,1) and sevc1_new(:,:,:,2), but only one of them was used (and computed) in lr_lanczos. Hence, I defined a new array sevc1_new(:,:,:), which replaces the former one and hence save RAM.
|
2016-03-20 12:12:38 +00:00 |
|
lr_dealloc.f90
|
Changes in TDDFPT related to recent extension of
|
2019-05-14 12:28:26 +02:00 |
|
lr_dv_setup.f90
|
XClib - all in module xc_lib
|
2021-01-06 15:42:52 +01:00 |
|
lr_dvpsi_e.f90
|
More cleanp of unused variables
|
2020-01-13 14:49:31 +00:00 |
|
lr_dvpsi_eels.f90
|
fix incdrhoscf_nc call and lr_dvpsi_eels.f90
|
2020-07-17 12:10:41 +02:00 |
|
lr_eels_main.f90
|
Workaround to prevent annoying and confusing errors when closing laxlib after
|
2021-01-14 13:15:51 +00:00 |
|
lr_exx_kernel.f90
|
XClib - all in module xc_lib
|
2021-01-06 15:42:52 +01:00 |
|
lr_init_nfo.f90
|
1. Introduced a variable 'calculator' which controls
|
2020-07-14 17:47:31 +00:00 |
|
lr_lanczos.f90
|
clean TDDFPT/src/lr_readin.f90
|
2019-08-05 09:36:46 +02:00 |
|
lr_main.f90
|
XClib - all in module xc_lib
|
2021-01-06 15:42:52 +01:00 |
|
lr_normalise.f90
|
Revised version of Iurii's patch for TDDFPT: unset_mpi_comm_4_solvers
|
2019-02-27 22:01:54 +01:00 |
|
lr_ortho.f90
|
Revised version of Iurii's patch for TDDFPT: unset_mpi_comm_4_solvers
|
2019-02-27 22:01:54 +01:00 |
|
lr_psym_eels.f90
|
Revised version of Iurii's patch for TDDFPT: unset_mpi_comm_4_solvers
|
2019-02-27 22:01:54 +01:00 |
|
lr_read_d0psi.f90
|
Revised version of Iurii's patch for TDDFPT: unset_mpi_comm_4_solvers
|
2019-02-27 22:01:54 +01:00 |
|
lr_read_wf.f90
|
XClib - all in module xc_lib
|
2021-01-06 15:42:52 +01:00 |
|
lr_readin.f90
|
Merge branch 'xc_lib' into 'develop'
|
2021-01-15 15:50:06 +00:00 |
|
lr_restart.f90
|
Changes in TDDFPT related to recent extension of
|
2019-05-14 12:28:26 +02:00 |
|
lr_run_nscf.f90
|
Improved documentation and output format of the TDDFPT codes
|
2020-07-17 07:13:14 +00:00 |
|
lr_set_boxes_density.f90
|
See comments in https://gitlab.com/QEF/q-e/merge_requests/721
|
2019-12-29 20:39:59 +01:00 |
|
lr_set_intq_nc.f90
|
solve make.depend conflict
|
2020-07-13 16:33:51 +00:00 |
|
lr_setup_nscf.f90
|
Initialization of linear-algebra communicators for parallelization re-ordered.
|
2021-01-12 11:07:24 +00:00 |
|
lr_smallgq.f90
|
Incorrect detection of inversion symmetry in phonons fixed (Phil Wang, JHU).
|
2020-08-03 19:20:31 +02:00 |
|
lr_solve_e.f90
|
solve make.depend conflict
|
2020-07-13 16:33:51 +00:00 |
|
lr_sternheimer.f90
|
Removed unused references to zdotc
|
2020-12-22 12:11:00 +00:00 |
|
lr_summary.f90
|
Improved documentation and output format of the TDDFPT codes
|
2020-07-17 07:13:14 +00:00 |
|
lr_sym_eels.f90
|
Cleanup of symmetrization in real space:
|
2020-06-09 15:03:34 +02:00 |
|
lr_test_restart.f90
|
Revised version of Iurii's patch for TDDFPT: unset_mpi_comm_4_solvers
|
2019-02-27 22:01:54 +01:00 |
|
lr_transform_intq_nc.f90
|
solve make.depend conflict
|
2020-07-13 16:33:51 +00:00 |
|
lr_transform_intq_so.f90
|
solve make.depend conflict
|
2020-07-13 16:33:51 +00:00 |
|
lr_us.f90
|
Variable "real_space_debug" deleted from realus module. In TDDFPT, input
|
2018-08-22 12:50:05 +02:00 |
|
lr_variables.f90
|
fix consistency with turbo_spectrum
|
2020-07-15 18:10:33 +02:00 |
|
lr_write_restart.f90
|
Revised version of Iurii's patch for TDDFPT: unset_mpi_comm_4_solvers
|
2019-02-27 22:01:54 +01:00 |
|
make.depend
|
Small problem with makedep, make.depend updated
|
2021-01-15 16:13:55 +00:00 |
|
mix_pot.f90
|
solve make.depend conflict
|
2020-07-13 16:33:51 +00:00 |
|
orthogonalize_omega.f90
|
solve make.depend conflict
|
2020-07-13 16:33:51 +00:00 |
|
paw_add_symmetry.f90
|
solve make.depend conflict
|
2020-07-13 16:33:51 +00:00 |
|
plugin_tddfpt_potential.f90
|
fixed a stupid bug in plugin in td
|
2018-06-28 00:32:32 -05:00 |
|
print_clock_lr.f90
|
XClib - all in module xc_lib
|
2021-01-06 15:42:52 +01:00 |
|
sd0psi.f90
|
Revised version of Iurii's patch for TDDFPT: unset_mpi_comm_4_solvers
|
2019-02-27 22:01:54 +01:00 |
|
stop_lr.f90
|
Revised version of Iurii's patch for TDDFPT: unset_mpi_comm_4_solvers
|
2019-02-27 22:01:54 +01:00 |
78e82d1cb0