DFT QC Models
pDynamo has its own in-built DFT QC method which can be used interchangeably with its other (semi-empirical) QC methods. See the example in the release which may be found in the file, tutorials/dftqcmodels/DFTExample.py.
pDynamo has its own in-built DFT QC method which can be used interchangeably with its other (semi-empirical) QC methods. See the example in the release which may be found in the file, tutorials/dftqcmodels/DFTExample.py.