st-maxwell Goto Github PK

benchmark

https://gensoukyo.me/benchmark/

ele_int1

one electron integral

ele_int2

electron-entropy

Calculate the entropy of electrons at different temperature

electrondensity

Calculate electron density

flox

Implementation of lox following https://craftinginterpreters.com

ford

Automatically generates FORtran Documentation from comments within the code.

forlab

Forlab is a Fortran module that provides a lot of functions for scientific computing mostly inspired by Matlab and Python's package NumPy.

fortranfileutils

fortranhashmap

fpm

Fortran Package Manager (fpm)

fpm-docs

Documentation repository for the Fortran package manager (fpm)

graduation-project

hf_timer

lapack_examples

Example programs showing how to call LAPACK driver and computational routines (Fortran double precision)

machina

mdbook-test

test the workflow of mdbook

modern-fortran-programming

现代Fortran程序设计

moegirl-touhou-module

萌娘百科东方Project板块所用模块

molecular_symmetry

Program to determine the symmetry point group of a molecule (doesn't work with cubic groups).

molgw

Accurate many-body perturbation theory calculations of the electronic structure of molecules

numerical

学习数值方法

numerovmethod

用Numerov方法求解一维谐振子波函数及原子径向波函数

psi4

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

psi4numpy

Combining Psi4 and Numpy for education and development.

py-qc

http://sirius.chem.vt.edu/wiki/doku.php?id=crawdad:programming

pyscf

Python module for quantum chemistry

quantum_scf

ringo

Ringo Is Not Gaussian/Orca

ryu_fortran

A Fortran implementation of Ryu algorithm