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Reset timings half-way through Complex3DParallel run Qodana #11: Commit bdcc4de pushed by anessler
10m 45s master
master
10m 45s
Reset timings half-way through Complex3DParallel run Force Field X Build #10: Commit bdcc4de pushed by anessler
9m 53s master
master
9m 53s
Added functionality for alchemical atoms to autosym flag. Force Field X Build #9: Commit 05fa583 pushed by anessler
12m 5s master
master
12m 5s
Added functionality for alchemical atoms to autosym flag. Qodana #10: Commit 05fa583 pushed by anessler
11m 27s master
master
11m 27s
Remove excess logging used for debugging. Force Field X Build #8: Commit 5fef210 pushed by anessler
10m 14s master
master
10m 14s
Remove excess logging used for debugging. Qodana #9: Commit 5fef210 pushed by anessler
10m 46s master
master
10m 46s
Updated autosym flag for superposeCrystals and added basic test. Qodana #8: Commit 2316b06 pushed by anessler
10m 43s master
master
10m 43s
Updated autosym flag for superposeCrystals and added basic test. Force Field X Build #7: Commit 2316b06 pushed by anessler
12m 2s master
master
12m 2s
Cleaned up output for automatic symmetry generation. Qodana #7: Commit b79bf65 pushed by anessler
7m 49s master
master
7m 49s
Cleaned up output for automatic symmetry generation. Force Field X Build #6: Commit b79bf65 pushed by anessler
8m 57s master
master
8m 57s
Added automatic generation of symmetry operators between two crystals. Force Field X Build #5: Commit f030f94 pushed by anessler
12m 9s master
master
12m 9s
Added automatic generation of symmetry operators between two crystals. Qodana #6: Commit f030f94 pushed by anessler
12m 55s master
master
12m 55s