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Add example notebook for adjustment of PC-SAFT parameters (#175) Deploy Documentation #122: Commit c79c5b4 pushed by g-bauer
October 26, 2023 14:20 17m 40s main
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October 26, 2023 14:20 17m 40s
Release v0.5.0 (#178) Deploy Documentation #121: Commit 8627d79 pushed by prehner
October 20, 2023 16:16 14m 57s main
main
October 20, 2023 16:16 14m 57s
Create chemical record from SMILES using rdkit (#191) Deploy Documentation #120: Commit 0fc8bfa pushed by prehner
October 15, 2023 13:47 23m 25s main
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October 15, 2023 13:47 23m 25s
Added parameter file from Esper et al (#190) Deploy Documentation #119: Commit 5a8b844 pushed by g-bauer
October 6, 2023 11:22 16m 34s main
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October 6, 2023 11:22 16m 34s
Go back to eigenvalue calculation in num_dual (#189) Deploy Documentation #118: Commit 7e57141 pushed by prehner
September 23, 2023 14:54 18m 7s main
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September 23, 2023 14:54 18m 7s
Make f64 the default inner type for all quantities (#186) Deploy Documentation #117: Commit 5c18ef0 pushed by prehner
September 4, 2023 15:09 25m 11s main
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September 4, 2023 15:09 25m 11s
Non orthogonal dft (#176) Deploy Documentation #116: Commit 48ac358 pushed by prehner
September 4, 2023 13:37 18m 23s main
main
September 4, 2023 13:37 18m 23s
Fix FromSegmentsBinary for Joback (#182) Deploy Documentation #115: Commit 4b3a0e5 pushed by prehner
August 22, 2023 11:38 24m 38s main
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August 22, 2023 11:38 24m 38s