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Pull requests: MolarVerse/PQ

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Pull requests list

refactor: rename keyword mace_model_size to mace_model cleanup
#284 opened Jun 23, 2026 by ape33 Member Loading…
1
2
internal: rename MaceRunner class to AseMaceRunner and ASEQMRunner to AseQMRunner internal Issues relavant only for developers
#283 opened Jun 23, 2026 by ape33 Member Loading…
1
2
feat: add MM Hessian workflow documentation Improvements or additions to documentation new feature New feature or request testing
#277 opened Jun 15, 2026 by galjos Collaborator Loading…
1
2
test: add math and algorithm regression suite testing
#275 opened Jun 14, 2026 by galjos Collaborator Loading…
1
fix: reject aliased cell-list layouts bug Something isn't working
#274 opened Jun 12, 2026 by galjos Collaborator Loading…
3
fix: refresh Langevin sigma on friction changes bug Something isn't working
#273 opened Jun 12, 2026 by galjos Collaborator Loading…
2
fix: count non-adjacent atom types bug Something isn't working
#271 opened Jun 12, 2026 by galjos Collaborator Loading…
3
docs: refresh reference manual documentation Improvements or additions to documentation
#269 opened Jun 12, 2026 by galjos Collaborator Loading…
11
fix: preserve molecular geometry during manostat scaling bug Something isn't working
#261 opened Jun 9, 2026 by galjos Collaborator Loading…
1
21
ci: solution to CHANGELOG.md merge conflicts (auto-generated Next Release) workflow Issues in the workflow
#259 opened Jun 1, 2026 by galjos Collaborator Loading…
Feature/water_models bug Something isn't working enhance feature new feature New feature or request
#223 opened May 29, 2026 by ape33 Member Loading…
2
15
Re-Formatting internal Issues relavant only for developers
#171 opened Jul 28, 2025 by ape33 Member • Draft
4
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