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New forcefield framework
Release Drafter #2053: Pull request #1370 synchronize by ghutchis
October 22, 2023 19:58 44s ghutchis:new-forcefield-framework
October 22, 2023 19:58 44s
Modernized some code, willing to work on more. #1346
Release Drafter #2052: Pull request #1387 opened by ghost
October 22, 2023 19:17 51s modernize-chargemodel
October 22, 2023 19:17 51s
Merge pull request #1384 from Surajjalpun2002/change2
Release Drafter #2051: Commit 18a6ac5 pushed by ghutchis
October 22, 2023 18:43 41s master
October 22, 2023 18:43 41s
changes regarding use of constexpr in case of constant variables
Release Drafter #2050: Pull request #1386 opened by Surajjalpun2002
October 22, 2023 13:50 37s master
October 22, 2023 13:50 37s
chore: update includes with include-what-you-use
Release Drafter #2049: Pull request #1382 synchronize by ghutchis
October 21, 2023 23:27 39s e-b-olson:chore-update-includes
October 21, 2023 23:27 39s
removed a clang tidy warning about implicit narrowing conversion
Release Drafter #2048: Pull request #1384 opened by Surajjalpun2002
October 21, 2023 21:39 40s change2
October 21, 2023 21:39 40s
changes regarding use of constexpr in case of constant variables
Release Drafter #2047: Pull request #1383 synchronize by Surajjalpun2002
October 21, 2023 20:59 41s change1
October 21, 2023 20:59 41s
changes regarding use of constexpr in case of constant variables
Release Drafter #2046: Pull request #1383 opened by Surajjalpun2002
October 21, 2023 20:55 41s change1
October 21, 2023 20:55 41s
Added cjson.py which can be used to read cjson
Release Drafter #2045: Pull request #1360 synchronize by adityaomar3
October 21, 2023 12:51 40s adityaomar3:manipulating-cjson
October 21, 2023 12:51 40s
New forcefield framework
Release Drafter #2039: Pull request #1370 synchronize by ghutchis
October 21, 2023 04:07 46s ghutchis:new-forcefield-framework
October 21, 2023 04:07 46s
Merge pull request #1381 from Surajjalpun2002/dihedraliterator_1
Release Drafter #2038: Commit cda8b3c pushed by ghutchis
October 20, 2023 03:01 40s master
October 20, 2023 03:01 40s
New forcefield framework
Release Drafter #2037: Pull request #1370 synchronize by ghutchis
October 20, 2023 01:18 42s ghutchis:new-forcefield-framework
October 20, 2023 01:18 42s
!valid always returns false and hence is unnecessary
Release Drafter #2036: Pull request #1381 opened by Surajjalpun2002
October 19, 2023 15:14 52s dihedraliterator_1
October 19, 2023 15:14 52s
Merge pull request #1372 from weblate/weblate-avogadro-avogadrolibs
Release Drafter #2035: Commit 23e27fe pushed by ghutchis
October 19, 2023 14:27 53s master
October 19, 2023 14:27 53s
Translations update from Hosted Weblate
Release Drafter #2034: Pull request #1372 synchronize by weblate
October 19, 2023 02:33 44s weblate:weblate-avogadro-avogadrolibs
October 19, 2023 02:33 44s
Merge pull request #1380 from ghutchis/reading-fchk-vibrations
Release Drafter #2033: Commit 62eecfc pushed by ghutchis
October 19, 2023 02:09 46s master
October 19, 2023 02:09 46s
Reading Gaussian fchk vibrations when present
Release Drafter #2032: Pull request #1380 synchronize by ghutchis
October 19, 2023 00:06 43s ghutchis:reading-fchk-vibrations
October 19, 2023 00:06 43s
Reading Gaussian fchk vibrations when present
Release Drafter #2031: Pull request #1380 synchronize by ghutchis
October 18, 2023 21:47 48s ghutchis:reading-fchk-vibrations
October 18, 2023 21:47 48s
Translations update from Hosted Weblate
Release Drafter #2029: Pull request #1372 synchronize by weblate
October 18, 2023 17:08 45s weblate:weblate-avogadro-avogadrolibs
October 18, 2023 17:08 45s
Merge pull request #1378 from ghutchis/cjson-default-obabel
Release Drafter #2028: Commit 545f9e4 pushed by ghutchis
October 18, 2023 15:33 52s master
October 18, 2023 15:33 52s
Merge pull request #1379 from ghutchis/fixup-surface-scripting
Release Drafter #2027: Commit c9a5066 pushed by ghutchis
October 18, 2023 15:32 53s master
October 18, 2023 15:32 53s
Fixup surface scripting
Release Drafter #2026: Pull request #1379 opened by ghutchis
October 18, 2023 03:14 45s ghutchis:fixup-surface-scripting
October 18, 2023 03:14 45s
Translations update from Hosted Weblate
Release Drafter #2024: Pull request #1372 synchronize by weblate
October 17, 2023 23:54 45m 7s weblate:weblate-avogadro-avogadrolibs
October 17, 2023 23:54 45m 7s
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