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relax traj energy parser (#25) Tests #192: Commit 4fac0c9 pushed by anmorgunov
35s master
master
35s
relax traj energy parser (#25) Code Quality #192: Commit 4fac0c9 pushed by anmorgunov
21s master
master
21s
relax traj energy parser (#25) Release Drafter #89: Commit 4fac0c9 pushed by anmorgunov
14s master
master
14s
v0.1.0 ⛰️ Release Management #1: Release v0.1.0 published by anmorgunov
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7s
v0.1.0 ⛰️ Publish Release #1: Release v0.1.0 published by anmorgunov
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12s
enh: add setter for orca freq that can be run w/ other jobs (#24) Code Quality #191: Commit a52879e pushed by anmorgunov
11s v0.1.0
v0.1.0
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enh: add setter for orca freq that can be run w/ other jobs (#24) Update Major Minor Tags #1: Commit a52879e pushed by anmorgunov
13s v0.1.0
v0.1.0
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enh: add setter for orca freq that can be run w/ other jobs (#24) Tests #191: Commit a52879e pushed by anmorgunov
33s v0.1.0
v0.1.0
33s
relax traj energy parser Tests #190: Pull request #25 opened by anmorgunov
28s feat/geom-track
feat/geom-track
28s
relax traj energy parser Code Quality #190: Pull request #25 opened by anmorgunov
14s feat/geom-track
feat/geom-track
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relax traj energy parser Release Drafter #88: Pull request #25 opened by anmorgunov
17s feat/geom-track
feat/geom-track
17s
relax traj energy parser Code Quality #189: Commit 3eb8326 pushed by anmorgunov
23s feat/geom-track
feat/geom-track
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relax traj energy parser Tests #189: Commit 3eb8326 pushed by anmorgunov
32s feat/geom-track
feat/geom-track
32s
feat: specify atoms for full hessian Code Quality #188: Commit 64ec28f pushed by anmorgunov
26s feat/geom-track
feat/geom-track
26s
feat: specify atoms for full hessian Tests #188: Commit 64ec28f pushed by anmorgunov
39s feat/geom-track
feat/geom-track
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clean up Tests #187: Commit c6a8bf4 pushed by anmorgunov
30s feat/geom-track
feat/geom-track
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clean up Code Quality #187: Commit c6a8bf4 pushed by anmorgunov
21s feat/geom-track
feat/geom-track
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feat: parse energy from _trj.xyz files Tests #186: Commit c34b1f7 pushed by anmorgunov
29s feat/geom-track
feat/geom-track
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feat: parse energy from _trj.xyz files Code Quality #186: Commit c34b1f7 pushed by anmorgunov
22s feat/geom-track
feat/geom-track
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enh: add setter for orca freq that can be run w/ other jobs (#24) Tests #185: Commit a52879e pushed by anmorgunov
30s master
master
30s
enh: add setter for orca freq that can be run w/ other jobs (#24) Release Drafter #87: Commit a52879e pushed by anmorgunov
11s master
master
11s
enh: add setter for orca freq that can be run w/ other jobs (#24) Code Quality #185: Commit a52879e pushed by anmorgunov
18s master
master
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enh: add setter for orca freq that can be run w/ other jobs Tests #184: Pull request #24 synchronize by anmorgunov
32s enhance/orca-freq
enhance/orca-freq
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enh: add setter for orca freq that can be run w/ other jobs Code Quality #184: Pull request #24 synchronize by anmorgunov
24s enhance/orca-freq
enhance/orca-freq
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enh: add setter for orca freq that can be run w/ other jobs Release Drafter #86: Pull request #24 synchronize by anmorgunov
14s enhance/orca-freq
enhance/orca-freq
14s