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pyqint
Python package for evaluating integrals of Gaussian type orbitals in electronic structure calculations
https://pyqint.imc-tue.nl
GNU General Public License v3.0
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Patch 0.16.1
#33
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ifilot
closed
9 months ago
ifilot
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9 months ago
Fix a bug in the generation of 3D grids
Allow for including or excluding the endpoints in 3D grid generation