Python gauss_chebyshev Examples

Programming Language: Python

Namespace/Package Name: pyscf.dft

Method/Function: gauss_chebyshev

Examples at hotexamples.com: 2

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

Example #1

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 def plus_minus(n):
     #rs, ws = dft.delley(n)
     #rs, ws = dft.treutler_ahlrichs(n)
     #rs, ws = dft.mura_knowles(n)
     rs, ws = dft.gauss_chebyshev(n)
     #return np.hstack((0,rs,-rs[::-1])), np.hstack((0,ws,ws[::-1]))
     return np.hstack((rs, -rs[::-1])), np.hstack((ws, ws[::-1]))

Example #2

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File: cell.py Project: eronca/pyscf

 def plus_minus(n):
     #rs, ws = dft.delley(n)
     #rs, ws = dft.treutler_ahlrichs(n)
     #rs, ws = dft.mura_knowles(n)
     rs, ws = dft.gauss_chebyshev(n)
     #return np.hstack((0,rs,-rs[::-1])), np.hstack((0,ws,ws[::-1]))
     return np.hstack((rs,-rs[::-1])), np.hstack((ws,ws[::-1]))