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.gitignore
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Import basis generation utility into release repository
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2019-12-20 17:14:22 +00:00 |
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MakeIonFile.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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Makefile
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Use one system.make file for all compilations
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2024-09-18 11:07:21 +01:00 |
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README.md
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Import basis generation utility into release repository
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2019-12-20 17:14:22 +00:00 |
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datatypes.module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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dimens_local_module.f90
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Introduced non-integer atomic number for BasisGeneration
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2020-05-13 20:36:01 +09:00 |
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functions_module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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generic_comms.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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global_module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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input_module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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makedeps
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Fix missing file to allow compilation
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2020-01-24 17:01:58 +00:00 |
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memory_module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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mesh_module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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numbers.module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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pao_format.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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periodic_table_module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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pseudo_atom_info_module.f90
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Improvements and bug fixes for HGH potentials
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2024-06-28 16:05:36 +01:00 |
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pseudo_tm_info.f90
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Removed a bug in calling interpolate by introducing pseudo(:)%zcore
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2020-05-14 15:13:26 +09:00 |
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pseudopotential_common.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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radial_xc_CQ_module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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radial_xc_LibXC_v2_module.f90
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Bug fix for issue #63
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2020-07-13 16:49:27 +01:00 |
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radial_xc_LibXC_v3_module.f90
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Bug fix for issue #63
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2020-07-13 16:49:27 +01:00 |
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radial_xc_LibXC_v4_module.f90
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Bug fix for issue #63
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2020-07-13 16:49:27 +01:00 |
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radial_xc_LibXC_v5_module.f90
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For LibXC version 5
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2021-10-29 15:57:27 +09:00 |
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read_module.f90
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More output on type of pseudopotential added
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2024-09-18 09:54:10 +01:00 |
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schro_module.f90
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Tweak output for basis generation
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2024-07-22 11:35:43 +01:00 |
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species_module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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spline_module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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system.make
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Update system.make for PAO generation
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2023-08-03 09:59:34 +01:00 |
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timer_module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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timer_stdclocks_module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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units.module.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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verstr.f90
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Merge remote-tracking branch 'basis-gen/master' into import
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2020-01-24 11:50:16 +00:00 |
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write_module.f90
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More output on type of pseudopotential added
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2024-09-18 09:54:10 +01:00 |
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