stfc / janus-core / 13420672416

Builds Branch Commit Type Ran Committer Via Coverage
13420672416 main Add upper limit for sphinx (#434) push web-flow github
93.93
13420362528 add-neb-tutorial Merge c1b21692d into bd388e6c8 Pull #435 web-flow github
93.93
13419758172 add-neb-tutorial Merge c7a1c0426 into bd388e6c8 Pull #435 web-flow github
93.93
13419678243 fix-docs Merge 18c7ac086 into bd388e6c8 Pull #434 web-flow github
93.93
13415768090 main Fix CSVR temperature ramp (#414) * Fix CSVR temperature ramp * Replace warnings with errors * Add temperature units Co-authored-by: ElliottKasoar <45317199+ElliottKasoar@users.noreply.github.com> * Fix MTK _set_target_temperature * Add heati... push web-flow github
93.93
13414693455 main Add NEB (#393) * Refactor setting minimize_kwargs * Add NEB calculation * Add interpolation options * Add NEB CLI * Write NEB results * Fix reading NEB band * Fix NEB band structures input * Fix NEB band structures input * Fix NEB CLI * ... push web-flow github
94.12
13414311421 fix-nvt-csvr-ramp Merge 1fc6b5e92 into 485084e8a Pull #414 web-flow github
94.02
13410290981 main Add Orb support (#303) * add Orb support * Generalise orb version * calculators * add tests * Update docs for Orb * Update orb * Fix orb model selection * Add MLIP tests for orb --------- Co-authored-by: ElliottKasoar <45317199+ElliottKa... push web-flow github
94.23
13408850571 fix-nvt-csvr-ramp Merge d52b56ebb into 73a3ae68e Pull #414 web-flow github
93.99
13397756510 fix-nvt-csvr-ramp Merge 8ac6e81af into 73a3ae68e Pull #414 web-flow github
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13396338580 orb Merge 91c771754 into 73a3ae68e Pull #303 web-flow github
94.23
13393787510 main add dpa3 calculator fixes #411 (#428) * add dpa3 calculator fixes #411 * Update docs for DPA3 * Separate missing and invalid DPA3 model * Add test for invalid DPA3 model * Add reference for example model --------- Co-authored-by... push web-flow github
94.2
13393305525 dpa Merge 10ff54323 into 7eae3aaf1 Pull #428 web-flow github
94.2
13392692686 main Fix NPH and NVT_NH (#429) * Fix NPH and NVT_NH logging * Add stats file test push web-flow github
94.22
13388597299 fix-nph-and-nvt-nh Merge dda0f6602 into 88a3508f5 Pull #429 web-flow github
94.22