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disable PySCF support for independent MDI coupling for now

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Steve Plimpton
2023-02-13 11:16:56 -07:00
parent f1fde259e7
commit 04c22e86cd
1 changed files with 5 additions and 0 deletions
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examples/QUANTUM/PySCF/pyscf_mdi.py
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@ -638,6 +638,11 @@ if __name__== "__main__":
if not mdi_option: error("PySCF -mdi option not provided")
# disable this mode of MDI coupling for now
# until issue on PySCF side is fixed
error("PySCF does not currently support running as independent executable")
# call MDI_Init with just -mdi option
mdi.MDI_Init(mdi_option)