A Python package for multipole expansions of electrostatic or gravitational potentials
MIT License
Python package for numerical derivatives and partial differential equations in any number of dime...
RESP with inter- and intra-molecular constraints in Psi4.
Integration of NumPy, SymPy, SciPy, and Pandas into a single extendable mathematical framework.
Efficient and stable Determinant Quantum Monte Carlo simulations in Python
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
SciPy fixes and extensions
A Python library for common tasks on 3D point clouds
Weighted least squares meshless interpolator and differentiator.
Working with numerical grids made easy.
Compressive Sensing and Optimization Framework to reconstruct Faraday Depth signals
Python realisation of Casino (QMC) program
A miscellaneous set of helper functions, custom distributions, and other utilities that I find us...
Python package for computing Kerr quasinormal mode frequencies, separation constants, and spheric...
manipulation on second quantization operators
ODE system solver using dG(q), time-discontinuous Galerkin with Lobatto basis.