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theochem
grid theochem
26
66
lgpl-3.0
8
Python library for numerical integration, interpolation, and differentiation on (molecular) grids.
python lebedev cubature quadrature integration interpolation clenshaw-curtis quantum-chemistry numerical-integration computational-chemistry coordinate-transformation numerical-differentiation quantum-chemistry-packages partial-differential-equations
Created 2018-09-08
767 commits to master branch, last one about a month ago