stfc / janus-core / 15071180831

Builds Branch Commit Type Ran Committer Via Coverage
15071180831 main Add config type label (#543) * Add option to save config type * Save config type for calculations * Add tests for config type label * Tidy setting config type * Update janus_core/helpers/struct_io.py Co-authored-by: Jacob Wilkins <46597752+o... push web-flow github
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15069883727 fairchem Merge b31aa91cb into f6d14fac7 Pull #421 web-flow github
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15068850236 add-config-type Merge 56a6c83d5 into f6d14fac7 Pull #543 web-flow github
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15068777399 rename-filter Merge 6672ad257 into f6d14fac7 Pull #546 web-flow github
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15066058485 add-config-type Merge 859e9b309 into f6d14fac7 Pull #543 web-flow github
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15046493199 main Fix docs warnings (#545) * Fix underline warning * Fix missing import warnings in docs push web-flow github
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15024939020 fix-docs Merge 87b6acbe4 into 445f29ff5 Pull #545 web-flow github
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15024408955 fairchem Merge a5d73373d into 445f29ff5 Pull #421 web-flow github
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15024438356 fix-docs Merge dcec0f6ab into 445f29ff5 Pull #545 web-flow github
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15018186098 main Fix writing optimisation trajectory to new directory (#542) * Test trajectory directory error * Create directory for optimisation trajectory push web-flow github
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15018178093 main Check exact and fuzzy matches in Stats (#505) * Check exact and fuzzy matches in Stats * Use difflib for fuzzy matching * Check for exact match, warn if multiple matches push web-flow github
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15018154802 main Update Orb (#540) push web-flow github
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15018148157 main Remove DGL MLIPs for Windows (#539) * Remove dgl for Windows automatic setup * Update README installation * Update installation guide in docs * Update docs/source/user_guide/installation.rst Co-authored-by: Jacob Wilkins <46597752+oerc0122@us... push web-flow github
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15016179892 add-config-type Merge fff95a431 into 152df32e8 Pull #543 web-flow github
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15005331489 add-config-type Merge 9f1ca0087 into 152df32e8 Pull #543 web-flow github
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