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theochem/grid

Python library for numerical integration, interpolation, and differentiation on (molecular) grids.

Owner
theochem (organization)
Stars
Stars: 102
Forks
Forks: 43
Language
Python
License
LGPL-3.0
Created
2018
Topics
computational-chemistrycubatureintegrationpythonquadraturequantum-chemistryquantum-chemistry-packagesinterpolationclenshaw-curtiscoordinate-transformation
Tier
Prototype (100 to 249 ★) What this tier means
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