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84fcf01bed
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bond/react: allow custom update of charges near template edges
also, fixes a bug introduced in PR #1189, when not using stabilization
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2018-11-06 19:59:22 -07:00 |
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f7aa01d74a
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bond/react: convert group-ID to group-ID-prefix
enables consistent syntax when using custom groups
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2018-11-03 11:57:46 -06:00 |
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5821a5ecc8
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bond/react: custom group with stabilization option
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2018-11-01 01:04:45 -06:00 |
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3faecc4d28
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add option to update all atoms' atomic charges
option to update all atomic charges, even when edge atoms are defined
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2018-10-30 22:11:52 -06:00 |
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ae7b18fb77
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only one call to extract needed
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2018-09-05 00:11:50 -06:00 |
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3750e0a427
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resolve newton setting and parallel disparities, improve syntax error catching
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2018-06-16 11:13:52 -06:00 |
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916ed71760
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fix bond/react final touches
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2018-05-06 00:34:03 -06:00 |
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a8eb3ff77f
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consolidate per-atom property fixes into one
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2018-02-21 23:20:17 -07:00 |
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5191071581
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no need to cast fixes to specific styles/types
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2018-02-21 11:15:44 +01:00 |
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5843be1557
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move fix bond/react to USER-MISC package
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2018-02-18 17:03:40 +01:00 |
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