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8c4798b692
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added dynamical matrix python script
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2019-09-26 12:39:55 -07:00 |
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7062bc862e
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remove third_order command and ASE based examples to be added in a new pull request
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2019-02-28 15:21:48 -05:00 |
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286112ffbc
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count each force computation as one simulation step. this avoids accessing uninitialized data, too.
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2019-02-28 11:00:55 -05:00 |
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4b8621e7ef
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Added additional tutorials for the dynamical matrix calculator
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2019-02-11 19:46:22 -08:00 |
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adebe90315
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Optimized Dynamical Matrix
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2019-02-01 21:55:29 -08:00 |
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