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Merge pull request #27 from davidkastner/newdielectricfix
CI #88: Commit 6716697 pushed by mane292
April 8, 2024 12:19 2m 20s main
April 8, 2024 12:19 2m 20s
fix bug in original dielectric
CI #87: Pull request #27 opened by mane292
April 8, 2024 12:19 1m 38s newdielectricfix
April 8, 2024 12:19 1m 38s
Merge pull request #26 from davidkastner/solvationDielectric
CI #86: Commit e77a1a9 pushed by mane292
April 8, 2024 00:08 2m 32s main
April 8, 2024 00:08 2m 32s
different dielectric btwn bonds
CI #85: Pull request #26 opened by mane292
April 8, 2024 00:08 1m 40s solvationDielectric
April 8, 2024 00:08 1m 40s
CI
CI #84: Scheduled
April 7, 2024 00:15 1m 55s main
April 7, 2024 00:15 1m 55s
Merge pull request #25 from davidkastner/fixDielectric
CI #83: Commit 0bb8af4 pushed by mane292
April 5, 2024 19:39 2m 50s main
April 5, 2024 19:39 2m 50s
Dielectric now a parameter rather than hardcoded
CI #82: Pull request #25 opened by mane292
April 5, 2024 19:38 2m 1s fixDielectric
April 5, 2024 19:38 2m 1s
CI
CI #81: Scheduled
March 31, 2024 00:15 1m 40s main
March 31, 2024 00:15 1m 40s
Merge pull request #24 from davidkastner/nearestCageAtom
CI #80: Commit 138f542 pushed by mane292
March 25, 2024 09:05 1m 48s main
March 25, 2024 09:05 1m 48s
Add functionality to calculate minimum distance to cage atoms
CI #79: Pull request #24 opened by mane292
March 25, 2024 09:04 1m 55s nearestCageAtom
March 25, 2024 09:04 1m 55s
CI
CI #78: Scheduled
March 24, 2024 00:14 1m 33s main
March 24, 2024 00:14 1m 33s
CI
CI #77: Scheduled
March 17, 2024 00:14 1m 47s main
March 17, 2024 00:14 1m 47s
CI
CI #76: Scheduled
March 10, 2024 00:58 1m 54s main
March 10, 2024 00:58 1m 54s
CI
CI #75: Scheduled
March 3, 2024 00:57 1m 43s main
March 3, 2024 00:57 1m 43s
CI
CI #74: Scheduled
February 25, 2024 00:58 1m 34s main
February 25, 2024 00:58 1m 34s
Merge pull request #23 from davidkastner/ShaikEfield
CI #73: Commit b41b80a pushed by mane292
February 22, 2024 04:49 2m 35s main
February 22, 2024 04:49 2m 35s
Added Shaik Efield Calc Functioanlity
CI #72: Pull request #23 opened by mane292
February 22, 2024 04:49 1m 25s ShaikEfield
February 22, 2024 04:49 1m 25s
Merge pull request #22 from davidkastner/checkEmag
CI #71: Commit aa44456 pushed by mane292
February 22, 2024 04:46 1m 32s main
February 22, 2024 04:46 1m 32s
Changed dielectric to one
CI #70: Pull request #22 opened by mane292
February 22, 2024 04:14 1m 47s checkEmag
February 22, 2024 04:14 1m 47s
Update README.md
CI #69: Commit e3264f8 pushed by davidkastner
February 20, 2024 04:15 1m 32s main
February 20, 2024 04:15 1m 32s
CI
CI #68: Scheduled
February 18, 2024 00:58 1m 21s main
February 18, 2024 00:58 1m 21s
Merge pull request #21 from davidkastner/bug-fix
CI #67: Commit b23ddff pushed by davidkastner
February 13, 2024 03:56 2m 41s main
February 13, 2024 03:56 2m 41s
Fixed a number of bugs
CI #66: Pull request #21 opened by davidkastner
February 13, 2024 03:56 2m 43s bug-fix
February 13, 2024 03:56 2m 43s
Merge pull request #20 from davidkastner/fixESPcalc
CI #65: Commit 06d24d4 pushed by mane292
February 11, 2024 14:33 2m 35s main
February 11, 2024 14:33 2m 35s