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Makefile
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Added __ENVIRON hooks
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2022-03-06 09:53:48 -06:00 |
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bcast_lr_input.f90
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turboMagnon updates
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2021-07-01 13:07:40 +02:00 |
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dveqpsi_us.f90
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solve make.depend conflict
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2020-07-13 16:33:51 +00:00 |
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dveqpsi_us_only.f90
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solve make.depend conflict
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2020-07-13 16:33:51 +00:00 |
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environ_td_module.f90
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Adjusted macros to support CMAKE
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2022-03-31 10:32:20 -05:00 |
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linear_solvers.f90
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solve make.depend conflict
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2020-07-13 16:33:51 +00:00 |
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lr_Opsi_magnons.f90
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turbo_magnon porting
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2022-06-29 10:08:42 +02:00 |
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lr_addus_dvpsi.f90
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solve make.depend conflict
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2020-07-13 16:33:51 +00:00 |
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lr_alloc_init.f90
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Update cabec related things in ph, tddfpt, hp
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2023-10-24 16:36:23 +02:00 |
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lr_apply_liouvillian.f90
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More cleanup of becmod related things
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2023-10-24 16:36:23 +02:00 |
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lr_apply_liouvillian_eels.f90
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update turbo_eels
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2022-06-29 10:08:42 +02:00 |
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lr_apply_liouvillian_magnons.f90
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TDDFPT/src/lr_calc_dens_magnons.f90 ported on GPU
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2023-03-07 13:54:24 +01:00 |
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lr_calc_dens.f90
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All codes updated with USE uspp_init
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2021-09-01 22:46:44 +02:00 |
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lr_calc_dens_eels.f90
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All codes updated with USE uspp_init
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2021-09-01 22:46:44 +02:00 |
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lr_calc_dens_eels_nc.f90
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All codes updated with USE uspp_init
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2021-09-01 22:46:44 +02:00 |
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lr_calc_dens_magnons.f90
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TDDFPT/src/lr_calc_dens_magnons.f90 ported on GPU
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2023-03-07 13:54:24 +01:00 |
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lr_charg_resp.f90
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Revert "Merge branch 'revert-c25e9f31' into 'develop'"
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2020-02-01 09:14:20 +00:00 |
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lr_compute_intq.f90
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[skip-CI] Leftover variableshould be removed
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2023-10-24 10:48:42 +02:00 |
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lr_dav_debug.f90
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Rename module wavefunctions_module to wavefunctions
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2018-07-12 16:11:48 +02:00 |
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lr_dav_main.f90
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check for TDDFPT with GPU
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2022-06-27 15:08:03 +02:00 |
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lr_dav_routines.f90
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Mismatch of the dimensions in lr_dav_cvcouple which may cause problems
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2021-04-19 18:56:58 +00:00 |
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lr_dav_variables.f90
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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.
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2016-03-20 12:12:38 +00:00 |
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lr_dealloc.f90
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turbo_magnons.x 6.4.1 version aligned develop
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2021-05-28 16:26:09 +02:00 |
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lr_dv_setup.f90
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Reshuffling of spin-orbit variables
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2021-10-22 07:56:50 +02:00 |
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lr_dvpsi_e.f90
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first version tddfpt_lanczos.x
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2022-06-29 10:08:42 +02:00 |
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lr_dvpsi_eels.f90
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openacc on turbo_eels sternheimer algorithm
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2022-06-29 10:08:39 +02:00 |
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lr_dvpsi_magnons.f90
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turbo_magnon porting
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2022-06-29 10:08:42 +02:00 |
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lr_eels_main.f90
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start openacc on turbo_eels
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2022-06-29 10:07:57 +02:00 |
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lr_exx_kernel.f90
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XClib - all in module xc_lib
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2021-01-06 15:42:52 +01:00 |
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lr_init_nfo.f90
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turbo_magnon porting
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2022-06-29 10:08:42 +02:00 |
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lr_lanczos.f90
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add pseudo hermitian algorithm for turbo_magnons
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2021-05-28 16:26:09 +02:00 |
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lr_magnons_main.f90
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Add a reference to the turboMagnon paper
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2022-08-31 10:55:58 +02:00 |
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lr_magnons_routines.f90
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turbo_magnons.x 6.4.1 version aligned develop
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2021-05-28 16:26:09 +02:00 |
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lr_main.f90
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remove check from turbo_lancsoz
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2022-06-29 11:50:12 +02:00 |
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lr_mix_pot.f90
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FIX: compilation issues with -acc
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2021-09-02 19:27:15 +02:00 |
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lr_normalise.f90
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All codes updated with USE uspp_init
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2021-09-01 22:46:44 +02:00 |
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lr_ortho.f90
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Revised version of Iurii's patch for TDDFPT: unset_mpi_comm_4_solvers
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2019-02-27 22:01:54 +01:00 |
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lr_psym_eels.f90
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Revised version of Iurii's patch for TDDFPT: unset_mpi_comm_4_solvers
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2019-02-27 22:01:54 +01:00 |
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lr_read_d0psi.f90
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turboMagnon updates
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2021-07-01 13:07:40 +02:00 |
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lr_read_wf.f90
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turbo_magnon porting
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2022-06-29 10:08:42 +02:00 |
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lr_readin.f90
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Miscellaneous
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2023-03-05 17:41:55 +00:00 |
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lr_restart.f90
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All codes updated with USE uspp_init
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2021-09-01 22:46:44 +02:00 |
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lr_run_nscf.f90
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merge RISM-code
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2021-12-29 16:07:10 +09:00 |
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lr_set_boxes_density.f90
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See comments in https://gitlab.com/QEF/q-e/merge_requests/721
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2019-12-29 20:39:59 +01:00 |
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lr_set_intq_nc.f90
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solve make.depend conflict
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2020-07-13 16:33:51 +00:00 |
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lr_setup_nscf.f90
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Fix turboMagnon
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2022-05-13 09:46:09 +00:00 |
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lr_smallgq.f90
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Incorrect detection of inversion symmetry in phonons fixed (Phil Wang, JHU).
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2020-08-03 19:20:31 +02:00 |
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lr_solve_e.f90
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first version tddfpt_lanczos.x
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2022-06-29 10:08:42 +02:00 |
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lr_sternheimer.f90
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first version tddfpt_lanczos.x
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2022-06-29 10:08:42 +02:00 |
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lr_summary.f90
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Spin_orbit cleanup
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2021-11-15 09:40:07 +01:00 |
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lr_sym_eels.f90
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turboMagnon updates
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2021-07-01 13:07:40 +02:00 |
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lr_test_restart.f90
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turbo_magnons.x 6.4.1 version aligned develop
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2021-05-28 16:26:09 +02:00 |
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lr_transform_intq_nc.f90
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solve make.depend conflict
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2020-07-13 16:33:51 +00:00 |
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lr_transform_intq_so.f90
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Reshuffling of spin-orbit variables
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2021-10-22 07:56:50 +02:00 |
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lr_us.f90
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All codes updated with USE uspp_init
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2021-09-01 22:46:44 +02:00 |
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lr_variables.f90
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renaming turboMAGNON executable
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2022-02-28 16:22:12 +01:00 |
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lr_write_restart.f90
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solve bug in restart for magnons
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2021-05-28 16:26:09 +02:00 |
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orthogonalize_omega.f90
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solve make.depend conflict
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2020-07-13 16:33:51 +00:00 |
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paw_add_symmetry.f90
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Reshuffling of spin-orbit variables
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2021-10-22 07:56:50 +02:00 |
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plugin_tddfpt_potential.f90
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fixed a stupid bug in plugin in td
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2018-06-28 00:32:32 -05:00 |
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print_clock_lr.f90
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Added __ENVIRON hooks
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2022-03-06 09:53:48 -06:00 |
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sd0psi.f90
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All codes updated with USE uspp_init
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2021-09-01 22:46:44 +02:00 |
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stop_lr.f90
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Added __ENVIRON hooks
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2022-03-06 09:53:48 -06:00 |
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turbo_spectrum.f90
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turbo_spectrum write long filenames
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2022-06-27 14:28:08 -04:00 |
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