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CMakeLists.txt
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Derivatives of spherical harmonics (dylmr2*f90) moved to upflib/
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2021-05-02 09:20:21 +02:00 |
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Makefile
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Derivatives of spherical harmonics (dylmr2*f90) moved to upflib/
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2021-05-02 09:20:21 +02:00 |
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additional_kpoints.f90
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Additional k-points would not be correctly transformed to 2pi/alat units if specified in
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2021-03-24 09:49:26 +01:00 |
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atom_weight.f90
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Ford-modules part 1
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2021-03-17 13:17:19 +01:00 |
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autopilot.f90
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Ford-modules part 15
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2021-03-17 13:17:20 +01:00 |
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basic_algebra_routines.f90
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Ford-modules part 15
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2021-03-17 13:17:20 +01:00 |
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becmod.f90
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Ford-modules part 25
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2021-03-17 13:17:20 +01:00 |
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becmod_gpu.f90
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Ford-modules part 25
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2021-03-17 13:17:20 +01:00 |
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becmod_subs_gpu.f90
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Ford-modules part 25
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2021-03-17 13:17:20 +01:00 |
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bfgs_module.f90
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Updated comment
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2021-04-19 20:28:22 -04:00 |
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bspline.f90
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Ford-modules part 16
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2021-03-17 13:17:20 +01:00 |
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bz_form.f90
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Ford-modules part 17
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2021-03-17 13:17:20 +01:00 |
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capital.f90
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Ford-modules part 5
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2021-03-17 13:17:19 +01:00 |
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cell_base.f90
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Ford-modules part 5
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2021-03-17 13:17:19 +01:00 |
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check_stop.f90
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Ford-modules part 15
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2021-03-17 13:17:20 +01:00 |
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command_line_options.f90
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Fix type mismatch warning.
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2021-05-16 01:11:54 -04:00 |
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compute_dipole.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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constants.f90
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Ford-modules part 17
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2021-03-17 13:17:20 +01:00 |
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constraints_module.f90
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Ford-modules part 17
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2021-03-17 13:17:20 +01:00 |
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control_flags.f90
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Ford-modules part 26
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2021-03-17 13:17:20 +01:00 |
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coulomb_vcut.f90
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Ford-modules part 13
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2021-03-17 13:17:20 +01:00 |
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cryst_to_car.f90
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Ford-modules part 13
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2021-03-17 13:17:20 +01:00 |
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cuda_subroutines.f90
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Moved becp to standard duplicated modules. Initial porting of becmod subroutines, but still a WIP! Other minor changes.
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2018-05-24 09:30:17 +02:00 |
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date_and_tim.f90
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Ford-modules part 13
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2021-03-17 13:17:20 +01:00 |
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deviatoric.f90
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Ford-modules part 7
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2021-03-17 13:17:19 +01:00 |
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dist.f90
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Ford-modules part 7
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2021-03-17 13:17:19 +01:00 |
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electrons_base.f90
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Ford-modules part 26
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2021-03-17 13:17:20 +01:00 |
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environment.f90
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Remove find_free_unit from Modules/
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2021-03-30 11:32:00 +02:00 |
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expint.f90
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Ford-modules part 7
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2021-03-17 13:17:19 +01:00 |
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fd_gradient.f90
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Ford-modules part 19
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2021-03-17 13:17:20 +01:00 |
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fft_base.f90
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Ford-modules part 13
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2021-03-17 13:17:20 +01:00 |
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fft_rho.f90
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Ford-modules part 13
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2021-03-17 13:17:20 +01:00 |
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fox_init_module.f90
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Fox init
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2018-02-26 14:11:13 +00:00 |
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fsockets.f90
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Ford-modules part 26
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2021-03-17 13:17:20 +01:00 |
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funct.f90
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rename RPBX HHNX to avoid a conflict with PBX
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2021-04-10 14:36:11 +09:00 |
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generate_function.f90
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Ford-modules part 13
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2021-03-17 13:17:20 +01:00 |
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generate_k_along_lines.f90
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Ford-modules part 16
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2021-03-17 13:17:20 +01:00 |
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gradutils.f90
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Ford-modules part 6
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2021-03-17 13:17:19 +01:00 |
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gvecw.f90
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Ford-modules part 19
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2021-03-17 13:17:20 +01:00 |
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has_xml.f90
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Ford-modules part 19
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2021-03-17 13:17:20 +01:00 |
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hdf5_qe.f90
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Ford-modules part 19
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2021-03-17 13:17:20 +01:00 |
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inpfile.f90
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Part of changes in epw_readin reverted upon suggestion by Hyungjun Lee.
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2020-08-09 20:30:49 +00:00 |
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input_parameters.f90
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Ford-modules part 26
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2021-03-17 13:17:20 +01:00 |
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int_to_char.f90
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Ford-modules part 19
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2021-03-17 13:17:20 +01:00 |
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invmat.f90
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Ford-modules part 7
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2021-03-17 13:17:19 +01:00 |
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io_base.f90
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Removal of unused variables
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2021-04-28 16:10:25 +02:00 |
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io_files.f90
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Revert "Merge branch 'revert-c395d46c' into 'develop'"
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2021-04-03 12:26:30 +09:00 |
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io_global.f90
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Ford-modules part 18
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2021-03-17 13:17:20 +01:00 |
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ions_base.f90
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Ford-modules part 26
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2021-03-17 13:17:20 +01:00 |
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kind.f90
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Ford-modules part 20
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2021-03-17 13:17:20 +01:00 |
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latgen.f90
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Aligned gpu-develop branch with develop from QEF/q-e.
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2021-01-19 22:16:25 +00:00 |
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linpack.f90
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Ford-modules part 27
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2021-03-17 13:17:20 +01:00 |
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lmdif.f90
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lmdif wants to minimize a function, when used to fit a function f over some data d
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2021-04-19 20:28:21 -04:00 |
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make.depend
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Derivatives of spherical harmonics (dylmr2*f90) moved to upflib/
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2021-05-02 09:20:21 +02:00 |
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matches.f90
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Ford-modules part 6
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2021-03-17 13:17:19 +01:00 |
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mbdlib.f90
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fix of force input flag bug
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2021-05-13 19:29:43 +00:00 |
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mdiis.f90
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Ford-modules part 15
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2021-03-17 13:17:20 +01:00 |
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mm_dispersion.f90
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Clocks for DFT-D2 and D3 added
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2021-05-13 08:52:13 +02:00 |
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more_functionals.f90
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Aligned gpu-develop branch with develop from QEF/q-e.
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2021-01-19 22:16:25 +00:00 |
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mp_bands.f90
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Ford-modules part 26
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2021-03-17 13:17:20 +01:00 |
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mp_exx.f90
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Ford-modules part 6
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2021-03-17 13:17:19 +01:00 |
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mp_global.f90
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Ford-modules part 11
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2021-03-17 13:17:20 +01:00 |
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mp_images.f90
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Ford-modules part 11
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2021-03-17 13:17:20 +01:00 |
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mp_pools.f90
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Ford-modules part 8
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2021-03-17 13:17:20 +01:00 |
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mp_wave.f90
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Ford-modules part 20
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2021-03-17 13:17:20 +01:00 |
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mp_world.f90
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Ford-modules part 15
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2021-03-17 13:17:20 +01:00 |
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noncol.f90
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Ford-modules part 21
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2021-03-17 13:17:20 +01:00 |
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open_close_input_file.f90
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Ford-modules part 21
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2021-03-17 13:17:20 +01:00 |
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parameters.f90
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Ford-modules part 21
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2021-03-17 13:17:20 +01:00 |
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parser.f90
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Ford-modules part 21
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2021-03-17 13:17:20 +01:00 |
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plot_io.f90
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Ford-modules part 22
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2021-03-17 13:17:20 +01:00 |
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plugin_arguments.f90
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Ford-modules part 22
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2021-03-17 13:17:20 +01:00 |
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plugin_flags.f90
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Ford-modules part 22
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2021-03-17 13:17:20 +01:00 |
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plugin_variables.f90
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Ford-modules part 22
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2021-03-17 13:17:20 +01:00 |
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pw_dot.f90
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Ford-modules part 14
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2021-03-17 13:17:20 +01:00 |
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qeh5_module.f90
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Ford-modules part 10
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2021-03-17 13:17:20 +01:00 |
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qes_bcast_module.f90
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Aligned gpu-develop branch with develop from QEF/q-e.
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2021-01-19 22:16:25 +00:00 |
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qes_init_module.f90
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Aligned gpu-develop branch with develop from QEF/q-e.
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2021-01-19 22:16:25 +00:00 |
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qes_libs_module.f90
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modified xml printout for vdw element
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2019-02-12 18:07:17 +00:00 |
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qes_read_module.f90
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Aligned gpu-develop branch with develop from QEF/q-e.
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2021-01-19 22:16:25 +00:00 |
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qes_reset_module.f90
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Aligned gpu-develop branch with develop from QEF/q-e.
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2021-01-19 22:16:25 +00:00 |
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qes_types_module.f90
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Aligned gpu-develop branch with develop from QEF/q-e.
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2021-01-19 22:16:25 +00:00 |
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qes_write_module.f90
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Aligned gpu-develop branch with develop from QEF/q-e.
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2021-01-19 22:16:25 +00:00 |
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qexsd.f90
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Remove find_free_unit from Modules/
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2021-03-30 11:32:00 +02:00 |
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qexsd_copy.f90
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Ford-modules part 8
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2021-03-17 13:17:20 +01:00 |
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qexsd_init.f90
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Ford-modules part 26
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2021-03-17 13:17:20 +01:00 |
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qexsd_input.f90
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Ford-modules part 8
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2021-03-17 13:17:20 +01:00 |
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qmmm.f90
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Ford-modules part 26
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2021-03-17 13:17:20 +01:00 |
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radial_gradients.f90
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Ford-modules part 8
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2021-03-17 13:17:20 +01:00 |
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random_numbers.f90
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Ford-modules part 8
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2021-03-17 13:17:20 +01:00 |
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random_numbers_gpu.f90
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Ford-modules part 22
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2021-03-17 13:17:20 +01:00 |
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read_cards.f90
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Additional k-points would not be correctly transformed to 2pi/alat units if specified in
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2021-03-24 09:49:26 +01:00 |
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read_input.f90
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Ford-modules part 22
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2021-03-17 13:17:20 +01:00 |
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read_namelists.f90
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Ford-modules part 14
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2021-03-17 13:17:20 +01:00 |
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read_pseudo.f90
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Removal of unused variables
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2021-02-26 13:09:35 +00:00 |
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recips.f90
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Ford-modules part 10
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2021-03-17 13:17:20 +01:00 |
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recvec.f90
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Some more CUDA cleaning:
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2021-04-21 22:04:18 +02:00 |
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recvec_subs.f90
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Ford-modules part 10
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2021-03-17 13:17:20 +01:00 |
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remove_tot_torque.f90
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Ford-modules part 10
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2021-03-17 13:17:20 +01:00 |
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rgen.f90
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Ford-modules part 9
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2021-03-17 13:17:20 +01:00 |
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run_info.f90
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Ford-modules part 14
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2021-03-17 13:17:20 +01:00 |
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set_hubbard_l.f90
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1. Debugging of the DFT+U implementation with "background"
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2020-04-24 17:45:01 +02:00 |
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set_hubbard_n.f90
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1. Debugging of the DFT+U implementation with "background"
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2020-04-24 17:45:01 +02:00 |
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set_para_diag.f90
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Clean up redundant ELPA preprocessing flags
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2021-03-08 10:45:32 -08:00 |
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set_signal.f90
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Ford-modules part 26
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2021-03-17 13:17:20 +01:00 |
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set_vdw_corr.f90
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fixed the input bugs
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2020-11-19 23:18:42 +01:00 |
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setqf.f90
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Ford-modules part 11
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2021-03-17 13:17:20 +01:00 |
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sort.f90
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Ford-modules part 10
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2021-03-17 13:17:20 +01:00 |
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space_group.f90
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Ford-modules part 26
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2021-03-17 13:17:20 +01:00 |
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test_input_file.f90
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Ford-modules part 11
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2021-03-17 13:17:20 +01:00 |
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timestep.f90
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All occurrences of d0, d+N, d-N, replaced with fortran-90 style _DP.
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2007-06-11 17:13:15 +00:00 |
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trimcheck.f90
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Ford-modules part 9
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2021-03-17 13:17:20 +01:00 |
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tsvdw.f90
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Ford-modules part 9
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2021-03-17 13:17:20 +01:00 |
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version.f90
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Ford-modules part 13
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2021-03-17 13:17:20 +01:00 |
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volume.f90
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Ford-modules part 4
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2021-03-17 13:17:19 +01:00 |
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w0gauss.f90
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Ford-modules part 13
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2021-03-17 13:17:20 +01:00 |
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w1gauss.f90
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Ford-modules part 13
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2021-03-17 13:17:20 +01:00 |
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wannier_gw.f90
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Ford-modules part 12
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2021-03-17 13:17:20 +01:00 |
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wannier_new.f90
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Ford-modules part 11
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2021-03-17 13:17:20 +01:00 |
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wavefunctions.f90
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Ford-modules part 9
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2021-03-17 13:17:20 +01:00 |
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wavefunctions_gpu.f90
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More missing # in #ifdef
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2021-01-05 08:30:30 +00:00 |
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wgauss.f90
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Ford-modules part 4
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2021-03-17 13:17:19 +01:00 |
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wrappers.f90
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Ford-modules part 11
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2021-03-17 13:17:20 +01:00 |
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ws_base.f90
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Ford-modules part 27
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2021-03-17 13:17:20 +01:00 |
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wyckoff.f90
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Axis for case ibrav=-13 aligned to what is typically found in the literature
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2019-08-26 12:34:26 +02:00 |
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wypos.f90
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Ford-modules part 11
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2021-03-17 13:17:20 +01:00 |
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xc_rVV10.f90
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Ford-modules part 16
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2021-03-17 13:17:20 +01:00 |
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xc_vdW_DF.f90
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Removal of unused variables
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2021-04-28 16:10:25 +02:00 |
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xsf.f90
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Ford-modules part 11
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2021-03-17 13:17:20 +01:00 |
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zvscal.f90
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Moved here.
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2016-03-25 14:43:57 +00:00 |
95b0ccca03