|
pcmsolver
|
public |
R. Di Remigio's API for the Polarizable Continuum Model
|
2023-06-16 |
|
simint
|
public |
B. Pritchard's vectorized Obara-Saika electron repulsion integrals
|
2023-06-16 |
|
ci-psi4
|
public |
a continuous integration offset download counter for Psi4
|
2023-06-16 |
|
pychemps2
|
public |
python interface to S. Wouters' spin-adapted implementation of DMRG for ab initio quantum chemistry
|
2023-06-16 |
|
dkh
|
public |
Wolf, Reiher, and Hess's Douglas-Kroll-Hess (DKH) relativistic correction
|
2023-06-16 |
|
gdma
|
public |
A. Stone's Gaussian distributed multipole analysis (GDMA)
|
2023-06-16 |
|
erd
|
public |
N. Flocke and V. Lotrich's Gaussian molecular integrals for AcesIII
|
2023-06-16 |
|
ambit
|
public |
J. Turney's C++ library for the implementation of tensor product calculations
|
2023-06-16 |
|
chemps2
|
None |
S. Wouters' spin-adapted implementation of DMRG for ab initio quantum chemistry
|
2023-06-16 |
|
dftd3
|
None |
S. Grimme's dispersion correction for DFT, Hartree--Fock, and semi-empirical quantum chemical methods
|
2023-06-16 |
