@psi4
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psi4

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Top repositories

1

psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
C++
951
star
2

psi4numpy

Combining Psi4 and Numpy for education and development.
Jupyter Notebook
337
star
3

erd

AcesIII electron repulsion integrals
Fortran
6
star
4

psi4meta

tools for managing Psi4
Shell
6
star
5

gdma

Anthony Stone's Gaussian Distributed Multipole Analysis wrapped in CMake
Fortran
5
star
6

psi4webmo

integrating Psi4 with WebMO
Perl
2
star
7

psicode-hugo-website

Psi4 user website psicode.org (was https://admiring-tesla-08529a.netlify.com/)
HTML
1
star
8

psi3

Psi3 source code.
C++
1
star
9

GTFock

Massively Parallel Direct Fock Builder
C
1
star
10

psi4docs

built Sphinx html documentation for Psi4
HTML
1
star
11

PsiCon2020

materials from PsiCon 2020
Jupyter Notebook
1
star
12

psi2

Psi2 source code.
Fortran
1
star
13

psi4archive

Archive for beta1, beta2, beta3, beta4, beta5, 1.0 Psi4 (see https://github.com/psi4/psi4 for active development)
C++
1
star
14

dkh

Wolf, Reiher, and Hess's Douglas-Kroll-Hess relativistic correction
Fortran
1
star