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cannot use "--gfn 0" option with xtb 6.7.1 Close Stale #300: Issue #1112 labeled by ElioChen
October 2, 2024 16:30 3s
October 2, 2024 16:30 3s
Close Stale Close Stale #299: Scheduled
October 2, 2024 00:17 2s main
main
October 2, 2024 00:17 2s
Parallel hessian calculation with gfnff fails Close Stale #298: Issue #1111 labeled by rasmusslothlundkvist
October 1, 2024 13:29 2s
October 1, 2024 13:29 2s
Difference in geometry (and energy) when using the bash export XTBPATH option. Close Stale #297: Issue #1110 labeled by jonathan-schoeps
October 1, 2024 11:20 3s
October 1, 2024 11:20 3s
Difference in geometry (and energy) when using the bash export XTBPATH option. Close Stale #296: Issue #1110 labeled by jonathan-schoeps
October 1, 2024 11:20 3s
October 1, 2024 11:20 3s
Close Stale Close Stale #295: Scheduled
October 1, 2024 00:19 3s main
main
October 1, 2024 00:19 3s
Close Stale Close Stale #294: Scheduled
September 30, 2024 00:18 2s main
main
September 30, 2024 00:18 2s
Close Stale Close Stale #293: Scheduled
September 29, 2024 00:19 2s main
main
September 29, 2024 00:19 2s
Close Stale Close Stale #292: Scheduled
September 28, 2024 00:17 2s main
main
September 28, 2024 00:17 2s
xTB + GCC 14.1: multiple test fails Close Stale #291: Issue #1109 labeled by foxtran
September 27, 2024 09:10 3s
September 27, 2024 09:10 3s
Close Stale Close Stale #290: Scheduled
September 27, 2024 00:17 3s main
main
September 27, 2024 00:17 3s
Close Stale Close Stale #289: Scheduled
September 26, 2024 00:16 2s main
main
September 26, 2024 00:16 2s
Close Stale Close Stale #288: Scheduled
September 25, 2024 00:17 3s main
main
September 25, 2024 00:17 3s
Fix ICE for ifx 2024.1.0 CI #1597: Pull request #1106 synchronize by foxtran
September 24, 2024 15:56 9m 44s foxtran:fix/ICE_ifx
foxtran:fix/ICE_ifx
September 24, 2024 15:56 9m 44s
Fix ICE for ifx 2024.1.0 CI #1596: Pull request #1106 synchronize by foxtran
September 24, 2024 15:47 9m 2s foxtran:fix/ICE_ifx
foxtran:fix/ICE_ifx
September 24, 2024 15:47 9m 2s
Automatic UHF calculation for odd number of electrons Close Stale #287: Issue #1107 labeled by marcelmbn
September 24, 2024 14:08 3s
September 24, 2024 14:08 3s
Automatic UHF calculation for odd number of electrons Close Stale #286: Issue #1107 labeled by marcelmbn
September 24, 2024 14:08 3s
September 24, 2024 14:08 3s
Close Stale Close Stale #285: Scheduled
September 24, 2024 00:17 2s main
main
September 24, 2024 00:17 2s
Close Stale Close Stale #284: Scheduled
September 23, 2024 00:17 2s main
main
September 23, 2024 00:17 2s
Close Stale Close Stale #283: Scheduled
September 22, 2024 00:19 2s main
main
September 22, 2024 00:19 2s
Close Stale Close Stale #282: Scheduled
September 21, 2024 00:16 2s main
main
September 21, 2024 00:16 2s
Automatic UHF calculation for odd number of electrons Close Stale #281: Issue #1107 labeled by gasevic
September 20, 2024 12:14 2s
September 20, 2024 12:14 2s
Close Stale Close Stale #280: Scheduled
September 20, 2024 00:17 3s main
main
September 20, 2024 00:17 3s
Allocate set%ffnb dynamically. (#1105) CI #1595: Commit 43a0e4e pushed by marcelmbn
September 19, 2024 14:37 12m 6s main
main
September 19, 2024 14:37 12m 6s
Fix ICE for ifx 2024.1.0 CI #1594: Pull request #1106 opened by foxtran
September 19, 2024 13:16 8m 23s foxtran:fix/ICE_ifx
foxtran:fix/ICE_ifx
September 19, 2024 13:16 8m 23s