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added atom mapping to lammps
CI/CD #1528: Commit 4ff80d5 pushed by ChiCheng45
March 1, 2024 17:44 8s chi/atom-mapping
March 1, 2024 17:44 8s
added atom mapping to lammps
Test MDANSE #204: Commit 4ff80d5 pushed by ChiCheng45
March 1, 2024 17:44 6m 28s chi/atom-mapping
March 1, 2024 17:44 6m 28s
added atom mapping to lammps
Build MDANSE #395: Commit 4ff80d5 pushed by ChiCheng45
March 1, 2024 17:44 10m 17s chi/atom-mapping
March 1, 2024 17:44 10m 17s
added atom mapping to lammps
Black #355: Commit 4ff80d5 pushed by ChiCheng45
March 1, 2024 17:44 23s chi/atom-mapping
March 1, 2024 17:44 23s
applied black
CI/CD #1527: Commit d1ac426 pushed by ChiCheng45
March 1, 2024 16:28 7s chi/atom-mapping
March 1, 2024 16:28 7s
applied black
Black #354: Commit d1ac426 pushed by ChiCheng45
March 1, 2024 16:28 20s chi/atom-mapping
March 1, 2024 16:28 20s
applied black
Build MDANSE #394: Commit d1ac426 pushed by ChiCheng45
March 1, 2024 16:28 7m 4s chi/atom-mapping
March 1, 2024 16:28 7m 4s
applied black
Test MDANSE #203: Commit d1ac426 pushed by ChiCheng45
March 1, 2024 16:28 9m 7s chi/atom-mapping
March 1, 2024 16:28 9m 7s
Black
Black #353: by ChiCheng45
March 1, 2024 15:48 9m 4s chi/atom-mapping
March 1, 2024 15:48 9m 4s
Test MDANSE
Test MDANSE #202: by ChiCheng45
March 1, 2024 15:48 16m 8s chi/atom-mapping
March 1, 2024 15:48 16m 8s
Build MDANSE
Build MDANSE #393: by ChiCheng45
March 1, 2024 15:48 14m 56s chi/atom-mapping
March 1, 2024 15:48 14m 56s
CI/CD
CI/CD #1526: by ChiCheng45
March 1, 2024 15:48 9m 48s chi/atom-mapping
March 1, 2024 15:48 9m 48s
Make McStasVirtualInstrument run without crashing
Test MDANSE #201: Commit c868b0c pushed by MBartkowiakSTFC
March 1, 2024 13:21 9m 30s correct-analysis-bugs
March 1, 2024 13:21 9m 30s
Make McStasVirtualInstrument run without crashing
Build MDANSE #392: Commit c868b0c pushed by MBartkowiakSTFC
March 1, 2024 13:21 6m 41s correct-analysis-bugs
March 1, 2024 13:21 6m 41s
added atom mapping to forcite, discover, dftb and dmol
Build MDANSE #391: Commit 98a1a60 pushed by ChiCheng45
March 1, 2024 10:59 7m 32s chi/atom-mapping
March 1, 2024 10:59 7m 32s
added atom mapping to forcite, discover, dftb and dmol
Test MDANSE #200: Commit 98a1a60 pushed by ChiCheng45
March 1, 2024 10:59 8m 45s chi/atom-mapping
March 1, 2024 10:59 8m 45s
fixed test
Test MDANSE #199: Commit f2ce5a0 pushed by ChiCheng45
March 1, 2024 10:22 6m 20s chi/atom-mapping
March 1, 2024 10:22 6m 20s
fixed test
CI/CD #1523: Commit f2ce5a0 pushed by ChiCheng45
March 1, 2024 10:22 11s chi/atom-mapping
March 1, 2024 10:22 11s
fixed test
Black #350: Commit f2ce5a0 pushed by ChiCheng45
March 1, 2024 10:22 23s chi/atom-mapping
March 1, 2024 10:22 23s
fixed test
Build MDANSE #390: Commit f2ce5a0 pushed by ChiCheng45
March 1, 2024 10:22 10m 25s chi/atom-mapping
March 1, 2024 10:22 10m 25s
added atom mapping to cp2k
Build MDANSE #389: Commit 3e4ac66 pushed by ChiCheng45
March 1, 2024 09:24 6m 18s chi/atom-mapping
March 1, 2024 09:24 6m 18s