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c2d0734bc4
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rerun updated examples and record log files
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2023-03-07 14:36:56 -05:00 |
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a3c9029664
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Reverted the cutoff to 20.0 for in.nopbc
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2023-03-07 12:02:56 -06:00 |
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b65623ef1f
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Added back comments to data.sphere
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2023-03-07 11:57:49 -06:00 |
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9e57bedea2
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Fixed bugs when mistakenly replacing all "NULL" with "nullptr" with FixPolarizeFunctional, reduced the number of induced charges so that in.nopbc with dof finishes in a reasonable time
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2023-03-07 11:51:14 -06:00 |
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353e0820e3
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capture log files for dielectric examples
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2023-03-07 12:26:43 -05:00 |
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b08fe855a1
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Increased the default max iterations to 50, put a note on setting the local epsilon for charged interface particles to be the mean dielectric value
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2023-03-02 15:12:59 -06:00 |
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a38054cf32
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change area_per_patch to area/patch
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2022-10-10 16:03:09 -05:00 |
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ba45678528
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DIELECTRIC package doc and example updates
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2022-10-10 11:04:04 -05:00 |
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b3fa2b7c4f
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update of DIELECTRIC package documentation and examples
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2022-10-10 11:03:52 -05:00 |
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69c751df7b
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small tweak to make auto detecting atom style work in TopoTools
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2022-08-26 05:25:02 -04:00 |
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2a595713f3
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Updated doc page of the set command for the local dielectric constant,
which could be used as a measure of polarizability in the future
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2022-04-11 15:01:19 -05:00 |
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b666f7324c
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Updated the example input script with the set command for per-atom dielectric constant
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2022-04-11 14:44:02 -05:00 |
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430e7e962f
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Merge branch 'master' into dielectric-updates
# Conflicts:
# src/DIELECTRIC/Install.sh
# src/DIELECTRIC/pppm_disp_dielectric.cpp
# src/DIELECTRIC/pppm_disp_dielectric.h
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2021-07-03 15:27:57 -04:00 |
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878795e64a
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bulk rename of remaining USER- packages
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2021-06-29 20:12:59 -04:00 |
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4342987043
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rename example folders
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2021-06-29 11:23:47 -04:00 |
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