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Updates for the tsguesser to include implicit solvation, torsional sc… Jupyter Book (via myst) GitHub Pages Deploy #47: Commit 8bfacfe pushed by BastiaanvHoorn
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fix more MultiPsi OrbSpace changes Jupyter Book (via myst) GitHub Pages Deploy #46: Commit 6229951 pushed by MGDelcey
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update multipsi OrbSpace interface Jupyter Book (via myst) GitHub Pages Deploy #45: Commit 5e40432 pushed by MGDelcey
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enabled impes pages in myst.yml, show all figures in imples_calc Jupyter Book (via myst) GitHub Pages Deploy #44: Commit 711abd9 pushed by iubr
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fix orbital in basics, hide long output in MCPDFT, uncommented MCSCF … Jupyter Book (via myst) GitHub Pages Deploy #43: Commit 2a68772 pushed by iubr
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fixed remiaing issues Jupyter Book (via myst) GitHub Pages Deploy #42: Commit 4b944aa pushed by iubr
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fixed intro, install, basics, and tutorials Jupyter Book (via myst) GitHub Pages Deploy #41: Commit 56f2bc1 pushed by iubr
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new mtp, fixed equations and ref in gradients Jupyter Book (via myst) GitHub Pages Deploy #40: Commit 9154474 pushed by iubr
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Merge branch 'master' of https://github.com/kthpanor/echem Jupyter Book (via myst) GitHub Pages Deploy #39: Commit 4508864 pushed by kthpanor
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Update README with more cell tags information Jupyter Book (via myst) GitHub Pages Deploy #38: Commit 76eeb20 pushed by kthpanor
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links in mcscf and mcpdft Jupyter Book (via myst) GitHub Pages Deploy #37: Commit 7cdfe94 pushed by iubr
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fix a bunch of links Jupyter Book (via myst) GitHub Pages Deploy #36: Commit 46db8b0 pushed by mathieulinares
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more files Jupyter Book (via myst) GitHub Pages Deploy #35: Commit d531aa3 pushed by kthpanor
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Merge branch 'master' of https://github.com/kthpanor/echem Jupyter Book (via myst) GitHub Pages Deploy #34: Commit 9cfe9e5 pushed by kthpanor
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Fix URL for web pages location Jupyter Book (via myst) GitHub Pages Deploy #33: Commit 2a021b2 pushed by kthpanor
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Merge branch 'master' of https://github.com/kthpanor/echem Jupyter Book (via myst) GitHub Pages Deploy #32: Commit 050027a pushed by mathieulinares
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Add initial README.md with project setup instructions Jupyter Book (via myst) GitHub Pages Deploy #31: Commit cfc5f8f pushed by kthpanor
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fix TS guesser Jupyter Book (via myst) GitHub Pages Deploy #30: Commit b59b2e0 pushed by DavidCdeB
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material from valentin Jupyter Book (via myst) GitHub Pages Deploy #29: Commit 8860c4e pushed by kthpanor
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spec prop integration 136 Jupyter Book (via myst) GitHub Pages Deploy #28: Commit 6209fe2 pushed by Valentin3108
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dft section ready Jupyter Book (via myst) GitHub Pages Deploy #27: Commit 4b1e45b pushed by iubr
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Merge branch 'master' of https://github.com/kthpanor/echem Jupyter Book (via myst) GitHub Pages Deploy #26: Commit be7c492 pushed by kthpanor
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fixed link with # Jupyter Book (via myst) GitHub Pages Deploy #25: Commit 3b2d328 pushed by mathieulinares
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line 79-84 and 136-156 Jupyter Book (via myst) GitHub Pages Deploy #24: Commit b98cf0b pushed by mathieulinares
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fix title Jupyter Book (via myst) GitHub Pages Deploy #23: Commit 4559be3 pushed by DavidCdeB
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