St Maxwell's Projects
https://gensoukyo.me/benchmark/
one electron integral
Calculate the entropy of electrons at different temperature
Calculate electron density
Implementation of lox following https://craftinginterpreters.com
Automatically generates FORtran Documentation from comments within the code.
Forlab is a Fortran module that provides a lot of functions for scientific computing mostly inspired by Matlab and Python's package NumPy.
Fortran Package Manager (fpm)
Documentation repository for the Fortran package manager (fpm)
Example programs showing how to call LAPACK driver and computational routines (Fortran double precision)
test the workflow of mdbook
现代Fortran程序设计
萌娘百科东方Project板块所用模块
Program to determine the symmetry point group of a molecule (doesn't work with cubic groups).
Accurate many-body perturbation theory calculations of the electronic structure of molecules
学习数值方法
用Numerov方法求解一维谐振子波函数及原子径向波函数
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Combining Psi4 and Numpy for education and development.
http://sirius.chem.vt.edu/wiki/doku.php?id=crawdad:programming
Python module for quantum chemistry
Ringo Is Not Gaussian/Orca
A Fortran implementation of Ryu algorithm