trollchu | coder – Coder Social

Qingzhao’s Projects


AsFem photo
AsFem

A Simple Finite Element Method program (AsFem)


aten photo
aten

Molecular / atomic coordinate editor


cantera photo
cantera

Chemical kinetics, thermodynamics, and transport tool suite


chemics photo
chemics

A Python package for chemical reactor engineering


conda photo
conda

Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)


dpgen photo
dpgen

The deep potential generator


fastai photo
fastai

The fast.ai deep learning library, lessons, and tutorials


fftool photo
fftool

Tool to build force field input files for molecular simulation.


finalspeed photo
finalspeed

高速双边加速软件,在高丢包,延迟环境下仍可达到90%物理带宽利用率.


flameshot photo
flameshot

Powerful yet simple to use screenshot software


GRO2LAM photo
GRO2LAM

Gromacs to Lammps simulation converter


gromacs-lammps-process-simulation photo
gromacs-lammps-process-simulation

This repository contained python code used to do gromacs and lammps molecular dynamics simulation. Process to generate topology files compatible with AMBER force field (GAFF). Automatically generate simulation control files for gromacs and lammps.


I-ReaxFF photo
I-ReaxFF

I-ReaxFF: stand for Intelligent-Reactive Force Field


iprPy photo
iprPy

NIST Interatomic Potential Repository property calculation tools


lammps-1 photo
lammps-1

Public development project of the LAMMPS MD software package


LAMMPS-MD-PdH photo
LAMMPS-MD-PdH

Parses dump files from LAMMPS MD output, calculates thermodynamic properties (Maxwell Boltzman distribution, equilibrium lattice constant, bulk modulus, pressure auto correlation function, diffusion coefficient, etc..) of crystal Pd, and a solution of H in Pd lattice.


LAMMPS_Simulation photo
LAMMPS_Simulation

Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling

Read more here: Source link