QuantumicGuy

zotero-pdf-preview

Preview Zotero attachments in the library view.

zotero-pdf-preview

Preview Zotero attachments in the library view.

Energy_Diagram_Plotter_CDXML

A tool to create pixel-accurate energy diagrams as ChemDraw object

EzReson

An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures.

Argon_MD

Fortran code for various simulations of 1000 argon atoms

md-code

Molecular Dynamics code written in FORTRAN 90

2019_MD_Fortran_code

The work contains the updated version of 2017_MD_Fortran_code with neighbor-list method and is parallelized.

studentproj_abinito_md

Very basic ab initio md fortran code.

MDFort

Molecular Dynamic simulation in Fortran using OpenMP

ljmd-f

Lennard-Jones MD code in Fortran for teaching purposes

szaboqc

《现代量子化学》汉化版

hf-tutorial

giop

Offline Gaussian IOps Reference

Fortran-in-Action

⌨《Fortran语言实战》是一份由Fortran爱好者（Fortran-Fans）社区驱动的Fortran语言编程实战教程。

community

DeepModeling community content

QCgadget

A python toolkit for unit conventions for quantum chemists.

pyblock3-preview

pyblock3: an efficient python block-sparse tensor library

block2-preview

Efficient parallel quantum chemistry DMRG in MPO formalism

gamess-issues

GAMESS issue tracking

MOKIT

Orbital transfer and automatic multi-reference calculation for quantum chemistry

Energy_Diagram_Plotter_CDXML

A tool to create pixel-accurate energy diagrams as ChemDraw object