merzlab / QUICK

QUICK: A GPU-enabled ab intio quantum chemistry software package
Mozilla Public License 2.0
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Update information #331

Closed Madu86 closed 6 months ago

Madu86 commented 6 months ago

README.md and initialize.f90 (https://github.com/merzlab/QUICK/blob/master/src/initialize.f90#L71-L110) should be updated for QUICK-24.03. The citation should also be updated. But make sure that all QUICK and QM/MM tests pass after initialize.f90 update.