Warlocat / A-Not-So-Short-Guide-for-LinJun-Group
浙江大学王林军课题组入门指南
☆67Updated 4 years ago
Alternatives and similar repositories for A-Not-So-Short-Guide-for-LinJun-Group:
Users that are interested in A-Not-So-Short-Guide-for-LinJun-Group are comparing it to the libraries listed below
- ☆33Updated last year
- ☆56Updated last month
- Tutorials on CP2K calculations☆47Updated 3 years ago
- A tool to create pixel-accurate energy diagrams as ChemDraw object☆57Updated 2 weeks ago
- ☆19Updated 2 months ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆60Updated 10 months ago
- ab-initio nonadiabatic molecular dynamics program☆101Updated 7 months ago
- XMU Chenglab Wiki☆77Updated last month
- Hartree-Fock code written in full C++ standard☆25Updated 8 months ago
- ☆116Updated 5 years ago
- 收集了一些计算化学相关的推荐资料。☆15Updated 2 weeks ago
- cp2k postprocessing tools☆63Updated last month
- Gromacs to Lammps simulation converter☆72Updated last year
- Amateurish molecular electronic structure program.(for linux)☆22Updated 8 years ago
- 新生入学培训资料☆17Updated 2 years ago
- Solutions for Modern Quantum Chemistry, Szabo & Ostlund☆87Updated 2 years ago
- ☆25Updated 2 years ago
- AI-enhanced computational chemistry☆73Updated last month
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆51Updated 5 years ago
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆18Updated 3 years ago
- ☆105Updated 2 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆56Updated 5 months ago
- 《现代量子化学》汉化版☆126Updated 4 months ago
- Reliable explanation and ways to solve the error messages for the Gaussian quantum chemistry program. This is a per request English trans…☆71Updated last year
- 1D density functional theory code in Python☆124Updated last year
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆19Updated 4 months ago
- ☆16Updated last year
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces☆69Updated 5 months ago
- LAMMPS interface for phonon calculations using phonopy☆84Updated 4 months ago
- Python Cp2k interface☆91Updated 2 years ago