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Add support for HREX and REST2 Release Main #279: Pull request #64 synchronize by lohedges
27s feature_repex
feature_repex
27s
Fix rounding of end-state charge difference. [closes #65] Release Main #278: Commit 93292b4 pushed by lohedges
10m 3s feature_repex
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Add support for HREX and REST2 Release Main #277: Pull request #64 synchronize by lohedges
15s feature_repex
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Make imports consistent. Release Main #276: Commit a590822 pushed by lohedges
8m 18s feature_repex
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8m 18s
Add support for HREX and REST2 Release Main #275: Pull request #64 synchronize by lohedges
15s feature_repex
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Address review comments. Release Main #274: Commit 16f4972 pushed by lohedges
8m 34s feature_repex
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8m 34s
Add support for HREX and REST2 Release Main #273: Pull request #64 synchronize by lohedges
15s feature_repex
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Fix invalid use of dynamics.run() options. Release Main #272: Commit 7fa72d9 pushed by lohedges
10m 47s feature_repex
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10m 47s
Add support for HREX and REST2 Release Main #271: Pull request #64 synchronize by lohedges
13s feature_repex
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Fix equilibration_timestep kwarg name. Release Main #270: Commit 8a937bb pushed by lohedges
14m 14s feature_repex
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14m 14s
Add support for HREX and REST2 Release Main #269: Pull request #64 synchronize by lohedges
18s feature_repex
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Use correct dynamics object for post-equilibration minimisation. Release Main #268: Commit bc708a5 pushed by lohedges
8m 40s feature_repex
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Add support for HREX and REST2 Release Main #267: Pull request #64 synchronize by lohedges
12s feature_repex
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Reset clock and perform conditional post-equilibration minimisation. Release Main #266: Commit 844c005 pushed by lohedges
15s feature_repex
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Add support for HREX and REST2 Release Main #263: Pull request #64 synchronize by lohedges
15s feature_repex
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Reset clock and perform conditional post-equilibration minimisation. Release Main #262: Commit 844c005 pushed by lohedges
9m 17s feature_repex
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Add support for HREX and REST2 Release Main #261: Pull request #64 synchronize by lohedges
18s feature_repex
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Add missing equilibration_time option. Release Main #260: Commit d53782f pushed by lohedges
8m 30s feature_repex
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Add support for HREX and REST2 Release Main #259: Pull request #64 opened by lohedges
19s feature_repex
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Add equilibration support to RepexRunner. Release Main #258: Commit dc4af0f pushed by lohedges
10m 52s feature_repex
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Blacken. Release Main #257: Commit c2a230e pushed by lohedges
8m 22s feature_repex
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8m 22s
Add basic tests for HREX/REST2 functionality. Release Main #256: Commit 3a53a18 pushed by lohedges
10m 19s feature_repex
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Make ghost bonded term modifications optional. (Default True.) Release Main #255: Commit d0f1416 pushed by lohedges
8m 23s feature_repex
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Adjust num_energy_neighbours to account for TI windows. Release Main #254: Commit b44102c pushed by lohedges
10m 43s feature_repex
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Make sure final states are mixed. Release Main #253: Commit 998a3b9 pushed by lohedges
8m 22s feature_repex
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8m 22s