stfc / janus-core / 8389220712

Builds Branch Commit Type Ran Committer Via Coverage
8389220712 update-geomopt Merge d9b14f4e5 into 15d8fc020 Pull #88 web-flow github
93.13
8388706341 add-md Merge d9b440e32 into 15d8fc020 Pull #87 web-flow github
93.15
8376678510 add-md Merge 03675e344 into 15d8fc020 Pull #87 web-flow github
89.38
8376066592 add-md Merge 22af55da2 into 15d8fc020 Pull #87 web-flow github
89.38
8371414990 main Update geometry optimization (#85) * Add steps option for geometry optimization Also removes dyn_kwargs, as fmax and steps appear to be the only options. * Add warning if not geomopt not converged * Add optimization restart test * Al... push web-flow github
93.36
8363070021 convergence-warning Merge 0318825f7 into f4ef2e5ea Pull #85 web-flow github
93.36
8363015648 convergence-warning Merge 00336b9da into f4ef2e5ea Pull #85 web-flow github
93.36
8361969069 convergence-warning Merge 7ee14c6eb into f4ef2e5ea Pull #85 web-flow github
93.19
8361713729 convergence-warning Merge a22dfd2cd into f4ef2e5ea Pull #84 web-flow github
93.19
8346048984 main Tidy code (#81) * Simplify run_single_point function name * Tidy CLI help, docstrings and tests --------- Co-authored-by: ElliottKasoar <ElliottKasoar@users.noreply.github.com> push web-flow github
92.01
8345831507 tidy-code Merge 1250b5205 into 3038a2dc4 Pull #81 web-flow github
92.01
8341823488 main Fix tox configuration push alinelena github
92.01
8341735120 fix-tox Merge d630a4f16 into b1eea8a30 Pull #80 web-flow github
92.01
8329730946 v0.1.0b3 bump version for release 0.1.0b3 push alinelena github
92.01
8329729421 main bump version for release 0.1.0b3 push alinelena github
92.01