Add a save parameter for chargemol calculation to select whether save the output files, use "link" rather than "copy" for the input file of chargemol calc, add mpi function to run chargemol.#3456
Open
RedStar-Iron wants to merge 39 commits intomaterialsproject:masterfrom RedStar-Iron:Add-mpirun-function-to-the
+139-42
Commits
Commits on Oct 28, 2023
- authored
Commits on Nov 4, 2023
Commits on Nov 5, 2023
Commits on Nov 6, 2023
- authored
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
Commits on Nov 7, 2023
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed
- committed