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Small update Python Package using Conda #276: Pull request #422 synchronize by RagnarB83
June 29, 2024 18:21 1m 54s NEW
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June 29, 2024 18:21 1m 54s
coulombcharge: cupy version in MM_module. Default for TerachemTheory Python Package using Conda #275: Commit 4b689c9 pushed by RagnarB83
June 29, 2024 18:21 1m 58s NEW
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June 29, 2024 18:21 1m 58s
Small update Python Package using Conda #274: Pull request #422 synchronize by RagnarB83
June 29, 2024 15:47 1m 52s NEW
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June 29, 2024 15:47 1m 52s
cleanup Python Package using Conda #273: Commit e02355a pushed by RagnarB83
June 29, 2024 15:47 1m 56s NEW
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June 29, 2024 15:47 1m 56s
Small update Python Package using Conda #272: Pull request #422 synchronize by RagnarB83
June 29, 2024 15:42 2m 0s NEW
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June 29, 2024 15:42 2m 0s
fix Python Package using Conda #271: Commit f393228 pushed by RagnarB83
June 29, 2024 15:42 1m 52s NEW
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June 29, 2024 15:42 1m 52s
Small update Python Package using Conda #270: Pull request #422 synchronize by RagnarB83
June 29, 2024 15:41 1m 54s NEW
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June 29, 2024 15:41 1m 54s
fix Python Package using Conda #269: Commit 8df5211 pushed by RagnarB83
June 29, 2024 15:41 1m 53s NEW
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June 29, 2024 15:41 1m 53s
Small update Python Package using Conda #268: Pull request #422 synchronize by RagnarB83
June 29, 2024 15:36 1m 52s NEW
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June 29, 2024 15:36 1m 52s
terachem pcgradient fixes Python Package using Conda #267: Commit 97f37e2 pushed by RagnarB83
June 29, 2024 15:36 1m 57s NEW
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June 29, 2024 15:36 1m 57s
Small update Python Package using Conda #266: Pull request #422 synchronize by RagnarB83
June 29, 2024 14:17 1m 50s NEW
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June 29, 2024 14:17 1m 50s
debug Python Package using Conda #265: Commit c4a4011 pushed by RagnarB83
June 29, 2024 14:17 2m 0s NEW
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June 29, 2024 14:17 2m 0s
Small update Python Package using Conda #264: Pull request #422 synchronize by RagnarB83
June 29, 2024 14:15 1m 55s NEW
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June 29, 2024 14:15 1m 55s
minor pdbfixes, terachem print energy before and after PC-PC correction Python Package using Conda #263: Commit 76207d1 pushed by RagnarB83
June 29, 2024 14:15 1m 56s NEW
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June 29, 2024 14:15 1m 56s
Small update Python Package using Conda #262: Pull request #422 synchronize by RagnarB83
June 29, 2024 11:38 3m 53s NEW
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June 29, 2024 11:38 3m 53s
minor print cleanup (surface, QM/MM) Python Package using Conda #261: Commit a9a25be pushed by RagnarB83
June 29, 2024 11:38 3m 47s NEW
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June 29, 2024 11:38 3m 47s
Small update Python Package using Conda #260: Pull request #422 opened by RagnarB83
June 26, 2024 14:48 3m 51s NEW
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June 26, 2024 14:48 3m 51s
Minor tweaks: Python Package using Conda #259: Commit d64449a pushed by RagnarB83
June 25, 2024 10:21 3m 54s NEW
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June 25, 2024 10:21 3m 54s
fix Python Package using Conda #258: Commit 6bfea95 pushed by RagnarB83
June 23, 2024 13:59 3m 56s NEW
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June 23, 2024 13:59 3m 56s
fix Python Package using Conda #257: Commit 8c8ba8a pushed by RagnarB83
June 23, 2024 13:58 4m 4s NEW
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June 23, 2024 13:58 4m 4s
- Terachem interface, QM/MM: correction for PC-PC energy Python Package using Conda #256: Commit 988d605 pushed by RagnarB83
June 23, 2024 13:50 3m 53s NEW
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June 23, 2024 13:50 3m 53s
minor moldenfile fix in pyscftheory Python Package using Conda #255: Commit 69dd1bc pushed by RagnarB83
June 23, 2024 10:57 3m 47s NEW
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June 23, 2024 10:57 3m 47s
pyscf cartesian basis option Python Package using Conda #254: Commit 951f4dd pushed by RagnarB83
June 21, 2024 15:53 3m 58s NEW
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June 21, 2024 15:53 3m 58s
pyscf cc-density pop analysis for CCSD Python Package using Conda #253: Commit 67620c6 pushed by RagnarB83
June 21, 2024 15:15 3m 58s NEW
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June 21, 2024 15:15 3m 58s
fixes Python Package using Conda #252: Commit ed09af5 pushed by RagnarB83
June 21, 2024 14:29 4m 9s NEW
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June 21, 2024 14:29 4m 9s