chinder753 / computational_chemistry_guidance
收集了一些计算化学相关的推荐资料。
☆15Updated 3 weeks ago
Alternatives and similar repositories for computational_chemistry_guidance:
Users that are interested in computational_chemistry_guidance are comparing it to the libraries listed below
- ☆33Updated last year
- Hartree-Fock code written in full C++ standard☆25Updated 8 months ago
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- Amateurish molecular electronic structure program.(for linux)☆22Updated 8 years ago
- MRH's research code☆21Updated this week
- ☆19Updated 2 months ago
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆18Updated 3 years ago
- ☆23Updated 3 months ago
- ab-initio nonadiabatic molecular dynamics program☆101Updated 8 months ago
- 浙江大学王林军课题组入门指南☆68Updated 4 years ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization