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remove assumption on output to exclude Java CI with Maven #94: Commit 0655caf pushed by marco-foscato
1m 9s main
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1m 9s
understand 'null' string Java CI with Maven #93: Commit eeccb8a pushed by marco-foscato
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cleanup Java CI with Maven #92: Commit 81510fd pushed by marco-foscato
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add option to bypass cleanup of test results Java CI with Maven #91: Commit 04fbd54 pushed by marco-foscato
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Merge branch 'main' of github.com:denoptim-project/AutoCompChem Java CI with Maven #90: Commit 7eb24bb pushed by marco-foscato
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fix deprecation of macos-13 gitHub worker Java CI with Maven #89: Commit 7e83e58 pushed by marco-foscato
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consistent spacing between option cards in Gaussian input preparation Java CI with Maven #88: Commit ada6267 pushed by marco-foscato
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handle high-gradient failure in XTB geom opt Java CI with Maven #87: Commit c6ad5ae pushed by marco-foscato
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enable multiple DirData in XTB constrain block Java CI with Maven #86: Commit 2f4f4e9 pushed by marco-foscato
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debug atom tuple generator: fixes cli28 Java CI with Maven #85: Commit ff17993 pushed by marco-foscato
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add connectivity in xTB input files Java CI with Maven #84: Commit e4fa317 pushed by marco-foscato
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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
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warn about change of atom list upon generation of conformers Java CI with Maven #82: Commit 47e64d8 pushed by marco-foscato
1m 37s main
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log change of work dir at runtime, not at job creation Java CI with Maven #81: Commit 8219fdb pushed by marco-foscato
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fix and document handling of custom wdir Java CI with Maven #80: Commit 8409d01 pushed by marco-foscato
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optionally trigger error upon detection of abnormal term in analyzed … Java CI with Maven #79: Commit bf991bb pushed by marco-foscato
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cleanup XTB knowledge Java CI with Maven #78: Commit df64aca pushed by marco-foscato
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fix misuse of URL-encoded paths Java CI with Maven #77: Commit 4a5fdb5 pushed by marco-foscato
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ignore cli.*.sh that are not CLI-test scripts Java CI with Maven #76: Commit 343292c pushed by marco-foscato
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documenting JobAssistant Java CI with Maven #75: Commit 3b93f28 pushed by marco-foscato
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update version number Publish Conda Package #12: Commit a3781dc pushed by marco-foscato
7m 13s v3.1.5
v3.1.5
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update version number Java CI with Maven #74: Commit a3781dc pushed by marco-foscato
1m 8s main
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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