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db5e4e05a8
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fix bug that happens when fix ave/time Nfreq < thermo freq
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2022-03-29 15:35:23 +08:00 |
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6407745781
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update programming style and enable/apply clang-format
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2022-03-28 16:49:11 -04:00 |
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13228ca29a
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add dimension check
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2022-03-28 13:34:36 +08:00 |
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cf17fd2306
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remap ghost atoms, no need to forward_comm()
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2022-03-27 21:49:51 +08:00 |
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603136a93b
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rename some function & variable, output delta area
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2022-03-27 20:52:00 +08:00 |
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7c333b8e07
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include bonded eng, cancel neigh build & fix bugs
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2022-03-27 20:22:16 +08:00 |
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2e84700224
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delete unused variable "pairflag"
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2022-03-26 13:55:22 +08:00 |
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274db39aa5
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demo of new compute style fep/ta
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2022-03-25 22:41:39 +08:00 |
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ace6c67697
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Copy .h & .cpp from compute_fep for comparison
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2022-03-23 22:26:44 +08:00 |
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