Python GKS Examples

Programming Language: Python

Namespace/Package Name: pyscf.dft.gks_symm

Method/Function: GKS

Examples at hotexamples.com: 2

Python GKS - 2 examples found. These are the top rated real world Python examples of pyscf.dft.gks_symm.GKS extracted from open source projects. You can rate examples to help us improve the quality of examples.

Example #1

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def GKS(mol, xc='LDA,VWN'):
    if not mol.symmetry or mol.groupname == 'C1':
        return gks.GKS(mol, xc)
    else:
        return gks_symm.GKS(mol, xc)

Example #2

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File: __init__.py Project: yoshida-lab/pyscf

def GKS(mol, *args):
    if not mol.symmetry or mol.groupname is 'C1':
        return gks.GKS(mol, *args)
    else:
        return gks_symm.GKS(mol, *args)