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Makefile
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Merge branch 'develop' into gpu-develop (first attempt)
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2020-04-29 18:54:24 +02:00 |
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bcast_lr_input.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_addus_dvpsi.f90
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Changes in TDDFPT related to recent extension of
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2019-05-14 12:28:26 +02:00 |
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lr_alloc_init.f90
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Changes in TDDFPT related to recent extension of
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2019-05-14 12:28:26 +02:00 |
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lr_apply_liouvillian.f90
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make box0, box_s,box_e public to be used also outside the module, for instance in lr_apply_liouvillian
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2020-04-24 11:37:17 +02:00 |
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lr_apply_liouvillian_eels.f90
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Changes in TDDFPT:
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2019-05-28 14:33:17 +00:00 |
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lr_calc_dens.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_calc_dens_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_calc_dens_eels_nc.f90
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Forgot one call to incdrhoscf_nc
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2020-02-29 19:53:04 +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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Changes in TDDFPT:
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2019-05-28 14:33:17 +00:00 |
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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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First compiling version of QE with initial "pseudolib" in upflib/.
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2020-04-25 19:13:15 +00:00 |
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lr_dav_routines.f90
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More removal of unused references to DDOT
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2020-01-09 15:33:14 +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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Changes in TDDFPT related to recent extension of
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2019-05-14 12:28:26 +02:00 |
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lr_dv_setup.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_dvpsi_e.f90
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More cleanp of unused variables
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2020-01-13 14:49:31 +00:00 |
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lr_dvpsi_eels.f90
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More cleanp of unused variables
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2020-01-13 14:49:31 +00:00 |
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lr_eels_main.f90
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First compiling version of QE with initial "pseudolib" in upflib/.
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2020-04-25 19:13:15 +00:00 |
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lr_exx_kernel.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_init_nfo.f90
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TDDFPT: tqr and real_space are no longer set up in TDDFPT but
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2018-08-27 13:10:07 +02:00 |
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lr_lanczos.f90
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clean TDDFPT/src/lr_readin.f90
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2019-08-05 09:36:46 +02:00 |
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lr_main.f90
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First compiling version of QE with initial "pseudolib" in upflib/.
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2020-04-25 19:13:15 +00:00 |
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lr_normalise.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_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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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_wf.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_readin.f90
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clean TDDFPT/src/lr_readin.f90
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2019-08-05 09:36:46 +02:00 |
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lr_restart.f90
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Changes in TDDFPT related to recent extension of
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2019-05-14 12:28:26 +02:00 |
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lr_run_nscf.f90
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Out-of-bound error when converting (tot,magn) to (up,down) rho.
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2019-06-07 06:30:26 +00:00 |
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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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Changes in TDDFPT:
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2019-05-28 14:33:17 +00:00 |
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lr_setup_nscf.f90
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Interpolation table in G space
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2020-03-12 22:05:47 +01:00 |
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lr_smallgq.f90
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More cleanp of unused variables
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2020-01-13 14:49:31 +00:00 |
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lr_solve_e.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_summary.f90
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More removal of ftau: now is a local variable, obtained from ft, where
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2019-04-08 22:44:53 +02:00 |
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lr_sym_eels.f90
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More removal of ftau: now is a local variable, obtained from ft, where
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2019-04-08 22:44:53 +02:00 |
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lr_test_restart.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_transform_intq_nc.f90
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Changes in TDDFPT:
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2019-05-28 14:33:17 +00:00 |
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lr_transform_intq_so.f90
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Changes in TDDFPT:
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2019-05-28 14:33:17 +00:00 |
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lr_us.f90
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Variable "real_space_debug" deleted from realus module. In TDDFPT, input
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2018-08-22 12:50:05 +02:00 |
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lr_variables.f90
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Changes in TDDFPT related to recent extension of
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2019-05-14 12:28:26 +02:00 |
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lr_write_restart.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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make.depend
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First compiling version of QE with initial "pseudolib" in upflib/.
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2020-04-25 19:13:15 +00:00 |
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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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Changes in TDDFPT:
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2019-05-28 14:33:17 +00:00 |
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sd0psi.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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stop_lr.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 |
660b973a69