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theochem / grid

Python library for numerical integration, interpolation, and differentiation on (molecular) grids.
https://grid.qcdevs.org/
GNU Lesser General Public License v3.0
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Fix domain limit problem #132 #135

Closed tczorro closed 3 years ago

tczorro commented 3 years ago
  1. remove = sign when comparing values
  2. Adjust f-string for better error message