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21,465 Commits 12 Branches 209 Tags
3abbf57146d2664900701e71863b4b296fb0c380
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6 Commits

Author SHA1 Message Date
Axel Kohlmeyer
3abbf57146 remove executable permissions on files that should not have them 2020-06-15 17:34:21 -04:00
charlie sievers
8c4798b692 added dynamical matrix python script 2019-09-26 12:39:55 -07:00
Axel Kohlmeyer
7062bc862e remove third_order command and ASE based examples to be added in a new pull request 2019-02-28 15:21:48 -05:00
Axel Kohlmeyer
286112ffbc count each force computation as one simulation step. this avoids accessing uninitialized data, too. 2019-02-28 11:00:55 -05:00
casievers
4b8621e7ef Added additional tutorials for the dynamical matrix calculator 2019-02-11 19:46:22 -08:00
charlie sievers
adebe90315 Optimized Dynamical Matrix 2019-02-01 21:55:29 -08:00
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