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Added a Linear TS search job adapter github pages #1222: Pull request #695 synchronize by alongd
4m 52s linear_ts
linear_ts
4m 52s
Add sp_composite focal-point/CBS single-point protocols github pages #1221: Pull request #878 synchronize by alongd
4m 54s sp_composite
sp_composite
4m 54s
Migrating ARC to Python 14 github pages #1220: Pull request #867 synchronize by alongd
5m 11s py14
py14
5m 11s
Fix TS multiplicity from YAML input github pages #1219: Pull request #882 opened by alongd
4m 50s ts_mult
ts_mult
4m 50s
Migrating ARC to Python 14 github pages #1218: Pull request #867 synchronize by alongd
5m 18s py14
py14
5m 18s
Added a Linear TS search job adapter github pages #1217: Pull request #695 synchronize by alongd
4m 55s linear_ts
linear_ts
4m 55s
Break down monolithic driver and heuristics tests github pages #1216: Pull request #881 opened by alongd
5m 39s brk_tsts
brk_tsts
5m 39s
trsh: drop checkfile on SCF/Unconverged/BasisSet failures github pages #1215: Pull request #880 synchronize by calvinp0
4m 54s trsh/drop-chk-on-bad-wavefunction
trsh/drop-chk-on-bad-wavefunction
4m 54s
trsh: drop checkfile on SCF/Unconverged/BasisSet failures github pages #1214: Pull request #880 opened by calvinp0
5m 3s trsh/drop-chk-on-bad-wavefunction
trsh/drop-chk-on-bad-wavefunction
5m 3s
Fix atom-map crash for constitutional-isomer cuts (H-abs with identical donors) github pages #1213: Pull request #877 synchronize by calvinp0
5m 7s fix-atom-map-pairing-formula-isomers
fix-atom-map-pairing-formula-isomers
5m 7s
species/zmat: import vectors as a module to break import cycle (#879) github pages #1212: Commit f30f9cc pushed by alongd
5m 10s main
main
5m 10s
Fix atom-map crash for constitutional-isomer cuts (H-abs with identical donors) github pages #1211: Pull request #877 synchronize by calvinp0
5m 9s fix-atom-map-pairing-formula-isomers
fix-atom-map-pairing-formula-isomers
5m 9s
Added a Linear TS search job adapter github pages #1210: Pull request #695 synchronize by alongd
4m 50s linear_ts
linear_ts
4m 50s
species/zmat: import vectors as a module to break import cycle github pages #1209: Pull request #879 synchronize by calvinp0
4m 58s zmat-vectors-cyclic-import
zmat-vectors-cyclic-import
4m 58s
species/zmat: import vectors as a module to break import cycle github pages #1208: Pull request #879 opened by calvinp0
4m 51s zmat-vectors-cyclic-import
zmat-vectors-cyclic-import
4m 51s
Added a Linear TS search job adapter github pages #1207: Pull request #695 synchronize by alongd
5m 10s linear_ts
linear_ts
5m 10s
Migrating ARC to Python 14 github pages #1206: Pull request #867 synchronize by alongd
9m 37s py14
py14
9m 37s
Added a Linear TS search job adapter github pages #1205: Pull request #695 synchronize by alongd
5m 13s linear_ts
linear_ts
5m 13s
Limit concurrent workers in batch github pages #1204: Pull request #873 synchronize by calvinp0
5m 32s pipe_concurrent
pipe_concurrent
5m 32s
Migrating ARC to Python 14 github pages #1203: Pull request #867 synchronize by alongd
20m 14s py14
py14
20m 14s
Added a Linear TS search job adapter github pages #1202: Pull request #695 synchronize by alongd
6m 55s linear_ts
linear_ts
6m 55s
Migrating ARC to Python 14 github pages #1201: Pull request #867 synchronize by alongd
16m 59s py14
py14
16m 59s
Skip 2D-graph isomorphism enforcement for TS species github pages #1200: Pull request #876 synchronize by calvinp0
10m 41s skip-ts-isomorphism-checks
skip-ts-isomorphism-checks
10m 41s
Limit concurrent workers in batch github pages #1199: Pull request #873 synchronize by calvinp0
4m 47s pipe_concurrent
pipe_concurrent
4m 47s
Enhances ORCA memory troubleshooting and pipe task handling github pages #1198: Pull request #874 synchronize by calvinp0
4m 43s orca_mem_node
orca_mem_node
4m 43s