CPMD-code / CPMD

The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
MIT License
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CPMD 4.4 installation issue #15

Open gayatripanda5 opened 1 year ago

gayatripanda5 commented 1 year ago

I am facing an issue while installing CPMD 4.3. I have all the Gromos files required for its installation with qmmm flag except the .F90 files mentioned in QMMM_SOURCE. Could you please guide me on how I can get these files? As these files were not required for the installation of older version of CPMD.

kloeffelt commented 1 year ago

@gayatripanda5 please look at #14