🔮 ChatGPT Desktop Application (Mac, Windows and Linux)

Reverse engineered ChatGPT API

一个极其简单极其简短的, 用Fortran代码写的专门用于合金体系的MC迭代程序.

使用Fortran写的根据eam文件格式和ATOMSK生成的lmp格式的data文件计算模型势能的代码

根据eam/alloy格式的文件和ATOMSK输出的data文件计算模型的势能

一段计算高熵合金模型中warrlen-cowley参数的代码, 根据NC文章复现.

一个用于生成梯度多晶的节点的Fortran程序, 生成的节点坐标可以被ATOMSK读取以生成二维梯度多晶模型

将OVITO中的收费模块的spatial bin封装了5个函数以供同学们调用这个模块计算数据导出绘图. OVITO的付费模块的python的API是可以免费使用的.

一个简单的模拟二维情况下使用LJ势的分子动力学代码, 单位制为LAMMPS中的LJ制, 通过src中的parameter.nml文件中的变量控制仿真参数,

一个简短的3维LJ势的分子动力学代码, 使用LAMMPS中的LJ单位制, 无物理意义, 仅为练手使用.

A minimal Fortran TCP client and server

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

Advanced Simulation kit based on Finite Element Method (AsFem)

Modern Fortran Edition of the SLSQP Optimizer

A short tutorial to get people started with Fortran's coolest feature, coarrays.

C-style arbitrary precision calculator

Public development project of the LAMMPS MD software package

The fundamental package for scientific computing with Python.

Automatically generates FORtran Documentation from comments within the code.

Fortran Standard Library

Lightweight HDF5 polymorphic Fortran: h5write() h5read()

Molecular dynamics simulator I programmed in order to understand MD in more detail. Periodic boundary conditions, energy minimizer, thermostat and barostat, aswell as a correct physical scale and f…

POT3D: High Performance Potential Field Solver

The LLVM Project is a collection of modular and reusable compiler and toolchain technologies.