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Makefile
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Further cleanup of bessel functions. sph_besr moved from atomic to flib.
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2004-11-17 13:35:03 +00:00 |
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all_electron.f90
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Cleanup, indentation, minor things
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2004-07-13 17:32:44 +00:00 |
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ascheq.f90
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Cleanup, indentation, out-of-bound error in ascheq
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2004-07-05 16:48:13 +00:00 |
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ascheqlocps.f90
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- indentation, spelling
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2004-07-06 17:21:27 +00:00 |
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ascheqps.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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cfdsol.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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charge.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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chargeps.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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compute_chi.f90
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Troullier-Martins sort of working, more cleaning
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2004-07-09 14:23:22 +00:00 |
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compute_det.f90
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- indentation, spelling
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2004-07-06 17:21:27 +00:00 |
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compute_phi.f90
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Further cleanup of bessel functions. sph_besr moved from atomic to flib.
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2004-11-17 13:35:03 +00:00 |
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compute_phipot.f90
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- indentation, spelling
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2004-07-06 17:21:27 +00:00 |
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compute_phius.f90
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Further cleanup of bessel functions. sph_besr moved from atomic to flib.
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2004-11-17 13:35:03 +00:00 |
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compute_solution.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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constants.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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descreening.f90
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- indentation, spelling
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2004-07-06 17:21:27 +00:00 |
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dir_outward.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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dirsol.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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dmixp.f90
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Misc. Alpha compilation errors and warning (courtesy of G. Cantele)
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2004-09-23 14:11:33 +00:00 |
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do_mesh.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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el_config.f90
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More cleanup
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2004-07-10 16:49:17 +00:00 |
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elsd.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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elsdps.f90
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More out-of-bounds (not serious)
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2004-07-05 17:22:58 +00:00 |
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esic.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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exc_t.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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find_qi.f90
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Further cleanup of bessel functions. sph_besr moved from atomic to flib.
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2004-11-17 13:35:03 +00:00 |
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gener_pseudo.f90
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Troullier-Martins sort of working, more cleaning
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2004-07-09 14:23:22 +00:00 |
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hartree.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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int_0_inf_dr.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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integrate_inward.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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integrate_outward.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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intref.f90
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- indentation, spelling
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2004-07-06 17:21:27 +00:00 |
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ld1.f90
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Merged noncolinear and colinear symmetries (routines sgama, irrek).
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2004-05-21 16:19:20 +00:00 |
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ld1_readin.f90
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Pseudopotential calculations with SIC are not available. Introduced a test
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2004-11-22 16:48:55 +00:00 |
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ld1_setup.f90
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Cleanup, indentation, minor things
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2004-07-13 17:32:44 +00:00 |
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ld1_writeout.f90
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Bug fix: the lenght of dft in readpseudo was 50. Problem
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2004-11-01 08:55:28 +00:00 |
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ld1inc.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
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lderiv.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
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lderivps.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
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lschps.f90
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More out-of-bounds (not serious)
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2004-07-05 17:22:58 +00:00 |
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make.depend
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- updated dependencies and Makefiles
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2004-11-24 16:13:26 +00:00 |
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new_potential.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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newd_at.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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nodenum.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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normalize.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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openfil.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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parameters.f90
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Cleanup, indentation, minor things
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2004-07-13 17:32:44 +00:00 |
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pseudo_types.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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pseudovloc.f90
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Troullier-Martins sort of working, more cleaning
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2004-07-09 14:23:22 +00:00 |
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read_newpseudo.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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read_pseudo.f90
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Bug fix: the lenght of dft in readpseudo was 50. Problem
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2004-11-01 08:55:28 +00:00 |
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read_pseudo_module.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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read_pseudoupf.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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run_pseudo.f90
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Bug fix: the lenght of dft in readpseudo was 50. Problem
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2004-11-01 08:55:28 +00:00 |
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run_test.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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scf.f90
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Cleanup, indentation, minor things
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2004-07-13 17:32:44 +00:00 |
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seriebes.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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series.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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set_rho_core.f90
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More cleanup
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2004-07-13 21:09:01 +00:00 |
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sic_correction.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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start_potps.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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starting_potential.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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trou.f90
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Troullier-Martins sort of working, more cleaning
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2004-07-09 14:23:22 +00:00 |
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vext.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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vpack.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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vxc_t.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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vxcgc.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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write_paw_recon.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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write_pseudo.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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write_results.f90
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Cleanup, indentation, minor things
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2004-07-13 17:32:44 +00:00 |
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write_resultsps.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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write_upf.f90
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PP generation code added in atomic/ - still some cleanup to do
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2004-05-14 15:33:08 +00:00 |
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