Published October 29, 2019
| Version v1.2
Software
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CoulombGalore - A Library for Electrostatic Interactions
Creators
- 1. Division of Physical Chemistry, Department of Chemistry, Lund University, Sweden
- 2. Division of Theoretical Chemistry, Department of Chemistry, Lund University, Sweden
Description
This is a C++ library for calculating the potential, field, forces, and interactions from and between electric multipoles. Focus is on approximate truncation schemes that offer fast alternatives to lattice sums such as Ewald summation. All implemented methods are unit tested.
Files
mlund/coulombgalore-v1.2.zip
Files
(57.6 kB)
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Additional details
Related works
- Is supplement to
- 10.1039/c9cp03875b (DOI)