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handle high-gradient failure in XTB geom opt Java CI with Maven #87: Commit c6ad5ae pushed by marco-foscato
1m 42s main
main
1m 42s
enable multiple DirData in XTB constrain block Java CI with Maven #86: Commit 2f4f4e9 pushed by marco-foscato
15m 2s main
main
15m 2s
debug atom tuple generator: fixes cli28 Java CI with Maven #85: Commit ff17993 pushed by marco-foscato
1m 59s main
main
1m 59s
add connectivity in xTB input files Java CI with Maven #84: Commit e4fa317 pushed by marco-foscato
1m 39s main
main
1m 39s
cleanup Publish Conda Package #14: Commit febf14c pushed by marco-foscato
11m 27s v3.2.0
v3.2.0
11m 27s
cleanup Java CI with Maven #83: Commit febf14c pushed by marco-foscato
1m 9s main
main
1m 9s
warn about change of atom list upon generation of conformers Publish Conda Package #13: Commit 47e64d8 pushed by marco-foscato
8m 20s v3.2.0
v3.2.0
8m 20s
warn about change of atom list upon generation of conformers Java CI with Maven #82: Commit 47e64d8 pushed by marco-foscato
1m 37s main
main
1m 37s
log change of work dir at runtime, not at job creation Java CI with Maven #81: Commit 8219fdb pushed by marco-foscato
1m 12s main
main
1m 12s
fix and document handling of custom wdir Java CI with Maven #80: Commit 8409d01 pushed by marco-foscato
1m 15s main
main
1m 15s
optionally trigger error upon detection of abnormal term in analyzed … Java CI with Maven #79: Commit bf991bb pushed by marco-foscato
1m 43s main
main
1m 43s
cleanup XTB knowledge Java CI with Maven #78: Commit df64aca pushed by marco-foscato
1m 35s main
main
1m 35s
fix misuse of URL-encoded paths Java CI with Maven #77: Commit 4a5fdb5 pushed by marco-foscato
2m 8s main
main
2m 8s
ignore cli.*.sh that are not CLI-test scripts Java CI with Maven #76: Commit 343292c pushed by marco-foscato
1m 34s main
main
1m 34s
documenting JobAssistant Java CI with Maven #75: Commit 3b93f28 pushed by marco-foscato
1m 3s main
main
1m 3s
update version number Publish Conda Package #12: Commit a3781dc pushed by marco-foscato
7m 13s v3.1.5
v3.1.5
7m 13s
update version number Java CI with Maven #74: Commit a3781dc pushed by marco-foscato
1m 8s main
main
1m 8s
ignore absence of status file in derived spartan output Publish Conda Package #11: Commit 490f568 pushed by marco-foscato
8m 18s v3.1.4
v3.1.4
8m 18s
ignore absence of status file in derived spartan output Java CI with Maven #73: Commit 490f568 pushed by marco-foscato
1m 48s main
main
1m 48s
restores usage of literal equal sign in json files Java CI with Maven #72: Commit 8984c08 pushed by marco-foscato
1m 12s main
main
1m 12s
update version id Java CI with Maven #71: Commit 5271807 pushed by marco-foscato
1m 11s main
main
1m 11s
use JSON format in JOBDETAILS Publish Conda Package #10: Commit c9148c1 pushed by marco-foscato
7m 47s v3.1.1
v3.1.1
7m 47s
use JSON format in JOBDETAILS Java CI with Maven #70: Commit c9148c1 pushed by marco-foscato
1m 58s main
main
1m 58s
exclude downloading of licences Java CI with Maven #69: Commit bb40ed6 pushed by marco-foscato
1m 42s main
main
1m 42s
Publish Conda Package Publish Conda Package #9: by marco-foscato
6m 49s v3.1.0
v3.1.0
6m 49s