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cosmo_charges.F
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Print only once custom COSMO parameters
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2022-02-23 16:37:01 -08:00 |
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cosmo_def_radii.F
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Print only once custom COSMO parameters
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2022-02-23 16:37:01 -08:00 |
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cosmo_fibonacci.F
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Add Fibonacci Spiral and Minimum Energy grids
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2021-11-08 16:44:02 -08:00 |
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cosmo_initialize.F
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bug fix for https://github.com/nwchemgit/nwchem/issues/655
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2022-09-28 13:52:41 -07:00 |
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cosmo_input.F
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added more print options
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2022-03-09 16:28:52 -08:00 |
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cosmo_lebedev.F
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Add Lebedev grids in COSMO
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2021-11-05 19:40:22 -07:00 |
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cosmo_params.fh
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Add Fibonacci Spiral and Minimum Energy grids
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2021-11-08 16:44:02 -08:00 |
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cosmo_smd_output.F
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au2kcal should be cau2kcal
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2016-07-21 17:36:44 +00:00 |
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cosmo_thomson.F
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keep compiler quiet
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2022-03-09 16:28:04 -08:00 |
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cosmo_tidy.F
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added more print options
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2022-03-09 16:28:52 -08:00 |
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cosmo_vem_output.F
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moved vem output to separate handler
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2016-07-25 22:11:06 +00:00 |
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cosmoP.fh
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HvD: Multiple changes to the COSMO stuff:
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2014-10-16 20:43:31 +00:00 |
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GNUmakefile
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prepare to merge master
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2021-11-10 09:06:05 -08:00 |
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grad_hnd_cos.F
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Print only once custom COSMO parameters
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2022-02-23 16:37:01 -08:00 |
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hnd_coschg.F
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Update QA tests and use MA
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2021-11-12 15:42:20 -08:00 |
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hnd_cosmo_lib.F
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Print KS segment surfaces
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2022-03-17 23:42:20 -07:00 |
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mnsol.F
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HvD: expanding Id:.
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2014-06-08 07:38:13 +00:00 |
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mnsol_interface.F
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further solvation updates
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2016-07-22 23:17:32 +00:00 |
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mnsol_mem.F
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HvD: expanding Id:.
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2014-06-08 07:38:13 +00:00 |
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solv_data.F
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bug fix for https://github.com/nwchemgit/nwchem/issues/655
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2022-09-28 13:52:41 -07:00 |
