Contribution to use FDMNES and FDMNES_SPACEGROUP environment variables#4
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farhi wants to merge 5 commits intotinaw:masterfrom
Open
Contribution to use FDMNES and FDMNES_SPACEGROUP environment variables#4farhi wants to merge 5 commits intotinaw:masterfrom
farhi wants to merge 5 commits intotinaw:masterfrom
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Hello,
This is a proposed contribution to use the
FDMNESandFDMNES_SPACEGROUPenvironment variables to override the package defaults.This allows for instance to use FDMNES with MPI with e.g.
I have updated the README accordingly.
Cheers, Emmanuel from Synchrotron SOLEIL.