psi4/gdma psi4/gdma

  • Stars
    star
    5
  • Rank 2,861,937 (Top 57 %)
  • Language
    Fortran
  • License
    GNU General Publi...
  • Created over 8 years ago
  • Updated over 1 year ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
psi4/gdma
github

psi4

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

Anthony Stone's Gaussian Distributed Multipole Analysis wrapped in CMake

More 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

psi4webmo

integrating Psi4 with WebMO
Perl
2
star
6

psicode-hugo-website

Psi4 user website psicode.org (was https://admiring-tesla-08529a.netlify.com/)
HTML
1
star
7

psi3

Psi3 source code.
C++
1
star
8

GTFock

Massively Parallel Direct Fock Builder
C
1
star
9

psi4docs

built Sphinx html documentation for Psi4
HTML
1
star
10

PsiCon2020

materials from PsiCon 2020
Jupyter Notebook
1
star
11

psi2

Psi2 source code.
Fortran
1
star
12

psi4archive

Archive for beta1, beta2, beta3, beta4, beta5, 1.0 Psi4 (see https://github.com/psi4/psi4 for active development)
C++
1
star
13

dkh

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