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GitBook: Update content .github/workflows/build.yml #35: Commit 0f6d650 pushed by gitbook-com Bot
23m 16s devel
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Added an example of Ehrenfest dynamics workflow applied to Tully1 pro… .github/workflows/build.yml #34: Commit f1f83f0 pushed by alexvakimov
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Added converted the remaining models and added more examples and unit… .github/workflows/build.yml #33: Commit cf01548 pushed by alexvakimov
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Converted analytical models to the new style, added examples and unit… .github/workflows/build.yml #32: Commit 841c2a9 pushed by alexvakimov
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Added examples and unittest for savers .github/workflows/build.yml #31: Commit c2d5857 pushed by alexvakimov
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Added a function for removal of total linear and angular momentum for… .github/workflows/build.yml #30: Commit 730d978 pushed by alexvakimov
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Fixed nuclear initial conditions initialization type 5 .github/workflows/build.yml #29: Commit c071dad pushed by alexvakimov
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Added a new option for initializing nuclear coordinates and momenta -… .github/workflows/build.yml #28: Commit 3d1c07b pushed by alexvakimov
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Handling velocity rescaling a bit more carefully .github/workflows/build.yml #27: Commit 1b6c575 pushed by alexvakimov
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Added update of forces and debug printing (now commented) .github/workflows/build.yml #26: Commit df78c50 pushed by alexvakimov
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Fixed the excitation analysis function .github/workflows/build.yml #25: Commit 084370c pushed by alexvakimov
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Updated installation and environment files, added velocity rescaling … .github/workflows/build.yml #24: Commit 2bd0219 pushed by alexvakimov
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Revised the initialization steps before the dynamics .github/workflows/build.yml #23: Commit ca54bb7 pushed by alexvakimov
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Updated installation instructions .github/workflows/build.yml #22: Commit 9b7eb1c pushed by alexvakimov
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Added scaling options for the hungarian algorithm .github/workflows/build.yml #21: Commit a474383 pushed by alexvakimov
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Updated installation instructions and removed older environment build… .github/workflows/build.yml #20: Commit ce6c69e pushed by alexvakimov
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Added explicit libra environment .github/workflows/build.yml #19: Commit 4e36072 pushed by alexvakimov
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Small change in DFTB+ module .github/workflows/build.yml #18: Commit da6fd38 pushed by alexvakimov
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Fixing CMakeListst to not exclude Python found in Conda .github/workflows/build.yml #17: Commit 0276d3a pushed by alexvakimov
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Revised Libra/MOPAC workflow - now it follows the same structure as t… .github/workflows/build.yml #16: Commit 0f471c2 pushed by alexvakimov
3m 21s devel
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Revised installation instructions for Libra, finalized the CI for Lib… .github/workflows/build.yml #15: Commit fe0cee0 pushed by alexvakimov
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fix - almost there .github/workflows/build.yml #14: Commit c292f86 pushed by alexvakimov
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fix .github/workflows/build.yml #13: Commit 0ea44fd pushed by alexvakimov
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fix .github/workflows/build.yml #12: Commit acb8880 pushed by alexvakimov
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fix .github/workflows/build.yml #11: Commit 5ba4b32 pushed by alexvakimov
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