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Update build-cmake.yml build-cmake #1195: Commit 22d6a6f pushed by aoterodelaroza
May 2, 2024 09:25 3m 12s master
master
May 2, 2024 09:25 3m 12s
update github workflow build-cmake #1194: Commit 0ad20e1 pushed by aoterodelaroza
May 2, 2024 09:14 3m 9s master
master
May 2, 2024 09:14 3m 9s
update tests build-cmake #1193: Commit 9a15cc0 pushed by aoterodelaroza
May 2, 2024 06:22 3m 9s master
master
May 2, 2024 06:22 3m 9s
clean up variables build-cmake #1192: Commit 2f9a84d pushed by aoterodelaroza
May 2, 2024 06:19 3m 8s master
master
May 2, 2024 06:19 3m 8s
add FPLO tests build-cmake #1191: Commit 032f779 pushed by aoterodelaroza
May 2, 2024 05:53 3m 9s master
master
May 2, 2024 05:53 3m 9s
implemented: read FPLO grids build-cmake #1190: Commit 7aa1fdb pushed by aoterodelaroza
May 2, 2024 05:49 3m 18s master
master
May 2, 2024 05:49 3m 18s
add FPLO output test build-cmake #1189: Commit f86eab9 pushed by aoterodelaroza
May 1, 2024 18:40 3m 9s master
master
May 1, 2024 18:40 3m 9s
update github workflow build-cmake #1188: Commit 4e81b4a pushed by aoterodelaroza
May 1, 2024 18:35 3m 14s master
master
May 1, 2024 18:35 3m 14s
implemented FPLO output reader build-cmake #1187: Commit e85d804 pushed by aoterodelaroza
May 1, 2024 18:28 31s master
master
May 1, 2024 18:28 31s
fix: nsafe check against ncel in list_near_atoms build-cmake #1186: Commit bf66ad0 pushed by aoterodelaroza
April 23, 2024 11:13 7m 29s master
master
April 23, 2024 11:13 7m 29s
update tests build-cmake #1185: Commit a27549b pushed by aoterodelaroza
April 16, 2024 09:57 7m 12s master
master
April 16, 2024 09:57 7m 12s
output of rdf in the user-requested units build-cmake #1184: Commit a646b1a pushed by aoterodelaroza
April 16, 2024 09:32 4m 52s master
master
April 16, 2024 09:32 4m 52s
fix bug in ipair keyword, rdf build-cmake #1183: Commit bdbf2bf pushed by aoterodelaroza
April 16, 2024 09:15 7m 23s master
master
April 16, 2024 09:15 7m 23s
Merge branch 'master' of github.com:aoterodelaroza/critic2 build-cmake #1182: Commit 1e419ea pushed by aoterodelaroza
April 5, 2024 19:25 5m 37s master
master
April 5, 2024 19:25 5m 37s
update tests with new bondfactor build-cmake #1181: Commit 63cc412 pushed by aoterodelaroza
March 30, 2024 07:53 5m 31s master
master
March 30, 2024 07:53 5m 31s
use pyykko covalent radii; tweak bondfactor and recalculate bonds mes… build-cmake #1180: Commit 43c80f8 pushed by aoterodelaroza
March 29, 2024 22:30 4m 53s master
master
March 29, 2024 22:30 4m 53s
update tests build-cmake #1179: Commit 69b564c pushed by aoterodelaroza
March 29, 2024 21:50 5m 24s master
master
March 29, 2024 21:50 5m 24s
prevent double-counting of atom pairs in the same block build-cmake #1178: Commit 39a6b8b pushed by aoterodelaroza
March 26, 2024 10:33 4m 38s master
master
March 26, 2024 10:33 4m 38s
tweak to list_near_atoms build-cmake #1177: Commit 73cdde7 pushed by aoterodelaroza
March 26, 2024 09:46 8m 12s master
master
March 26, 2024 09:46 8m 12s
rewrite find_asterisms_covalent build-cmake #1176: Commit e21b682 pushed by aoterodelaroza
March 26, 2024 09:43 5m 21s master
master
March 26, 2024 09:43 5m 21s
change default alpha in gaucomp build-cmake #1175: Commit 24607e3 pushed by aoterodelaroza
March 22, 2024 19:19 5m 21s master
master
March 22, 2024 19:19 5m 21s
change default maxfeval in tricks build-cmake #1174: Commit 8f5593e pushed by aoterodelaroza
March 22, 2024 18:43 5m 19s master
master
March 22, 2024 18:43 5m 19s
added besteps in gaucomp build-cmake #1173: Commit 3f199f1 pushed by aoterodelaroza
March 22, 2024 13:03 7m 10s master
master
March 22, 2024 13:03 7m 10s
set minimum fwhm in trick profile fit build-cmake #1172: Commit f7514af pushed by aoterodelaroza
March 15, 2024 17:50 4m 51s master
master
March 15, 2024 17:50 4m 51s
added nadj, rms print, and peak refit to tricks build-cmake #1171: Commit 24feb58 pushed by aoterodelaroza
March 15, 2024 15:00 6m 11s master
master
March 15, 2024 15:00 6m 11s
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