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read_pdbfile_info: Now grabbing residlabels as string instead of inte… Python Package using Conda #127: Commit c2b932c pushed by RagnarB83
April 9, 2024 10:15 3m 52s NEW
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April 9, 2024 10:15 3m 52s
Bugfixes and new interfaces Python Package using Conda #126: Pull request #415 synchronize by RagnarB83
April 4, 2024 14:43 3m 46s NEW
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April 4, 2024 14:43 3m 46s
fast_nparray_write function for writing e.g. large PC arrays to disk … Python Package using Conda #125: Commit 3df83f5 pushed by RagnarB83
April 4, 2024 14:43 3m 49s NEW
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April 4, 2024 14:43 3m 49s
Bugfixes and new interfaces Python Package using Conda #124: Pull request #415 synchronize by RagnarB83
April 3, 2024 13:38 3m 51s NEW
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April 3, 2024 13:38 3m 51s
Faster MNDO write input Python Package using Conda #123: Commit 966dd28 pushed by RagnarB83
April 3, 2024 13:38 3m 56s NEW
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April 3, 2024 13:38 3m 56s
Bugfixes and new interfaces Python Package using Conda #122: Pull request #415 synchronize by RagnarB83
April 3, 2024 12:01 3m 53s NEW
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April 3, 2024 12:01 3m 53s
minor cleanup, mndo-timing-print Python Package using Conda #121: Commit 23601d0 pushed by RagnarB83
April 3, 2024 12:01 3m 53s NEW
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April 3, 2024 12:01 3m 53s
Bugfixes and new interfaces Python Package using Conda #120: Pull request #415 synchronize by RagnarB83
April 2, 2024 08:58 3m 43s NEW
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April 2, 2024 08:58 3m 43s
small change to extforce-prepare Python Package using Conda #119: Commit a5e3e24 pushed by RagnarB83
April 2, 2024 08:58 3m 42s NEW
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April 2, 2024 08:58 3m 42s
Bugfixes and new interfaces Python Package using Conda #118: Pull request #415 synchronize by RagnarB83
April 2, 2024 07:59 3m 44s NEW
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April 2, 2024 07:59 3m 44s
minor cleanup Python Package using Conda #117: Commit 9def6c2 pushed by RagnarB83
April 2, 2024 07:59 3m 49s NEW
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April 2, 2024 07:59 3m 49s
Bugfixes and new interfaces Python Package using Conda #116: Pull request #415 synchronize by RagnarB83
March 31, 2024 14:02 4m 0s NEW
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March 31, 2024 14:02 4m 0s
Faster splitting of coords into QM and MM coords array Python Package using Conda #115: Commit a5e0f0c pushed by RagnarB83
March 31, 2024 14:02 3m 36s NEW
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March 31, 2024 14:02 3m 36s
Bugfixes and new interfaces Python Package using Conda #114: Pull request #415 synchronize by RagnarB83
March 31, 2024 12:13 3m 52s NEW
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March 31, 2024 12:13 3m 52s
Faster make_QM_PC_gradient Python Package using Conda #113: Commit ed8f568 pushed by RagnarB83
March 31, 2024 12:13 3m 55s NEW
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March 31, 2024 12:13 3m 55s
Bugfixes and new interfaces Python Package using Conda #112: Pull request #415 synchronize by RagnarB83
March 29, 2024 13:12 3m 52s NEW
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March 29, 2024 13:12 3m 52s
- OpenMM: bond,angle, restraint forces in OpenMMTheory and OpenMM_MDc… Python Package using Conda #111: Commit 824525e pushed by RagnarB83
March 29, 2024 13:12 3m 59s NEW
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March 29, 2024 13:12 3m 59s
Bugfixes and new interfaces Python Package using Conda #110: Pull request #415 synchronize by RagnarB83
March 19, 2024 16:29 3m 51s NEW
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March 19, 2024 16:29 3m 51s
Add print-timing step for QM-step prep Python Package using Conda #109: Commit 82ff372 pushed by RagnarB83
March 19, 2024 16:29 3m 52s NEW
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March 19, 2024 16:29 3m 52s
Bugfixes and new interfaces Python Package using Conda #108: Pull request #415 synchronize by RagnarB83
March 19, 2024 16:21 4m 0s NEW
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March 19, 2024 16:21 4m 0s
make_QM_PC_gradient_optimized default Python Package using Conda #107: Commit b4fa9a7 pushed by RagnarB83
March 19, 2024 16:21 3m 50s NEW
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March 19, 2024 16:21 3m 50s
Bugfixes and new interfaces Python Package using Conda #106: Pull request #415 synchronize by RagnarB83
March 19, 2024 11:13 3m 58s NEW
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March 19, 2024 11:13 3m 58s
minor fixes Python Package using Conda #105: Commit bdc9693 pushed by RagnarB83
March 19, 2024 11:13 3m 46s NEW
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March 19, 2024 11:13 3m 46s
Bugfixes and new interfaces Python Package using Conda #104: Pull request #415 synchronize by RagnarB83
March 19, 2024 10:56 1m 57s NEW
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March 19, 2024 10:56 1m 57s
fix Python Package using Conda #103: Commit 706be7c pushed by RagnarB83
March 19, 2024 10:56 1m 54s NEW
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March 19, 2024 10:56 1m 54s
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