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Merge pull request #283 from jieyang464/cisd-update-c .github/workflows/build.yml #47: Commit 34bfb1d pushed by alexvakimov
23m 55s devel
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Translated some of the decoherence methods, refined the hurface hop r… .github/workflows/build.yml #46: Commit ebb51d6 pushed by alexvakimov
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Integrated the TSH options in the engine, added example of running su… .github/workflows/build.yml #45: Commit 038fdb0 pushed by alexvakimov
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Added Aniket's TDDFT implementation for PySCF/Libra interface .github/workflows/build.yml #44: Commit 12a92cd pushed by alexvakimov
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Merge pull request #281 from animan95/devel .github/workflows/build.yml #43: Commit 109653f pushed by alexvakimov
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Fixed the bug with multithreading handling in the new ways of reading… .github/workflows/build.yml #42: Commit 2d2e42a pushed by alexvakimov
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Merged contributions from Victor Freixas: interface with hippynn and … .github/workflows/build.yml #41: Commit d3f68d3 pushed by alexvakimov
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Merge pull request #279 from vmfreixas/devel .github/workflows/build.yml #40: Commit fe11308 pushed by alexvakimov
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Merge pull request #280 from somesh17091994/add-openmolcas-module .github/workflows/build.yml #39: Commit 5b77013 pushed by alexvakimov
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Moved the example to a directory congruent with the structure of the … .github/workflows/build.yml #38: Commit cfdb4a2 pushed by alexvakimov
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Merge pull request #278 from jieyang464/feature-nbra-update .github/workflows/build.yml #37: Commit 16d5437 pushed by alexvakimov
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merging previous files .github/workflows/build.yml #36: Commit 46581aa pushed by alexvakimov
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GitBook: Update content .github/workflows/build.yml #35: Commit 0f6d650 pushed by gitbook-com Bot
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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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