Discover @berquist Open Source projects

Eric Berquist (@berquist)

berquist

Stars
70
Global Rank 268,955 (Top 10 %)
Followers 138
Following 74
Registered over 13 years ago
Most used languages

Python
45.5 %

Emacs Lisp
9.1 %

Nim
9.1 %

Java
4.5 %

Ruby
4.5 %

C
4.5 %

C++
4.5 %

Mathematica 4.5 %

Shell
4.5 %

Fortran
4.5 %

Rust
4.5 %
Location 🇺🇸 United States
Country Total Rank 54,270
Country Ranking

Nim
167

Mathematica 468

Fortran
567

Emacs Lisp
1,347

Rust
3,750

rchem

Ab initio quantum chemistry in Rust from scratch

pyresponse

Molecular frequency-dependent response properties for arbitrary operators

personal_scripts

Personal scripts, mostly for computational chemistry analysis.

dipole_example_calculations

helgaker_molecular_electronic_structure_theory

Implementations for https://onlinelibrary.wiley.com/doi/book/10.1002/9781119019572

chargemol

2017-09-26 Linux source.

mcscf_canonical_examples

automatic_differentiation

pyints

Tools for evaluating molecular integrals in Python.

stack_exchange_lennard_jones

10.1021_acs.jpca.1c03061

Supporting information (calculation outputs, structures) for https://doi.org/10.1021/acs.jpca.1c03061

dotfiles

Personal configuration files for shell/program environments and emacs

personal-cluster-config

Personal cluster setup with SLURM/Ansible

h5dump-mode

Emacs major mode for navigating h5dump output

TensorMol

Tensorflow + Molecules = TensorMol

cuby

A copy of cuby, a computational chemistry framework written in Ruby.

nimtinydft

An implementation of https://github.com/theochem/tinydft in Nim

ipython_notebooks_for_qc

Jupyter notebooks for quantum chemistry.

libresponse_psi4

A Psi4 plugin for https://github.com/berquist/libresponse

tree-sitter-h5dump

[WIP] h5dump grammar for tree-sitter

crafting-interpreters

PyQuante

A GitHub copy of the PyQuante quantum chemistry package, written in Python/C.

programming_party

Implementations of https://github.com/CrawfordGroup/ProgrammingProjects/