nomad-coe / nomad-simulations / 20570448868

Builds Branch Commit Type Ran Committer Via Coverage
20570448868 develop Dev guide (#309) * add new draft * merge refinements * Update docs/software-development-guide.md Co-authored-by: Esma B. Boydas <80156958+EBB2675@users.noreply.github.com> * Update docs/software-development-guide.md Co-authored-by: Esma B. B... push web-flow github
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20570046827 dev-guide refine based on review comments Pull #309 JFRudzinski github
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20436375980 fix-lattice-vectors-issue remove leftover comments from my prev solution Pull #314 EBB2675 github
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20436249441 fix-lattice-vectors-issue remove temporary solution Pull #314 EBB2675 github
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20436110374 fix-lattice-vectors-issue adjust condition, add tests Pull #314 EBB2675 github
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20433944122 multireference-qc disable basis set ref for MOs Pull #307 EBB2675 github
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20431427410 multireference-qc add a simple test for Multireference methods Pull #307 EBB2675 github
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20430579559 multireference-qc improve active orbital implementation, add tests Pull #307 EBB2675 github
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20409333403 multireference-qc Update src/nomad_simulations/utils/mo_cube.py Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com> Pull #307 web-flow github
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20409315711 multireference-qc Update src/nomad_simulations/schema_packages/model_method.py Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com> Pull #307 web-flow github
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20409040890 multireference-qc add MO trexio utility Pull #307 EBB2675 github
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20408952308 multireference-qc add MO cube utility Pull #307 EBB2675 github
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20408478841 multireference-qc add MRMP2 to MultireferencePT Pull #307 EBB2675 github
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20408319250 multireference-qc generalize MultireferencePT Pull #307 EBB2675 github
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20408230793 multireference-qc convert method_family to type Pull #307 EBB2675 github
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