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3e06512418
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plug small memory leak
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2023-01-08 04:43:14 -05:00 |
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dc36f7e573
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change "limit" to "group"
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2023-01-03 11:13:06 -05:00 |
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577d190de2
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remove bogus 4th per-atom entry.
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2023-01-03 11:12:53 -05:00 |
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946f7ca389
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add test and warning for missing charge info and point dipoles, respectively
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2022-12-09 00:33:26 -05:00 |
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8eb1b0042d
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error out without charge data
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2022-12-09 00:30:40 -05:00 |
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19e6d1cd9f
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new command compute efield/wolf/atom
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2022-12-08 06:32:17 -05:00 |
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