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2290ade2f2
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ensure that fix efield is initialized before accessing its data.
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2021-10-11 15:06:24 -04:00 |
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6d2b32f0b2
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move chi field calculation to fix qeq/reaxff
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2021-10-11 14:35:23 -04:00 |
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359aa1d805
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Merge branch 'master' into acks2_release
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2021-09-30 00:26:25 -04:00 |
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385220fd4b
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format changes
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2021-09-17 22:50:15 -04:00 |
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c858703156
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Remove unused variables
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2021-09-14 20:20:09 -06:00 |
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7c5a9841f7
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more whitespace
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2021-09-08 16:01:45 -06:00 |
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8b9dd6b0c1
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Add ACKS2 charge equilibration method to REAXFF and support for electric fields in QEq
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2021-09-08 15:06:23 -06:00 |
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852f18525d
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complete moving packages and styles around
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87b941f250
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