未登录 分享 收藏
ModelHamiltonian: A Python-scriptable library for generating 0-, 1-, and 2-electron integrals Chuiko, Valerii; Richards, Addison D. S.; Sanchez-Diaz, Gabriela; Martinez-Gonzalez, Marco; Sanchez, Wesley; Da Rosa, Giovanni B.; Richer, Michelle; Zhao, Yilin; Adams, William; Johnson, Paul A.; Heidar-Zadeh, Farnaz; Ayers, Paul W. 分享 收藏
GBasis : A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions Kim, Taewon David; Pujal, Leila; Richer, Michelle; van Zyl, Maximilian; Martinez-Gonzalez, Marco; Tehrani, Alireza; Chuiko, Valerii; Sanchez-Diaz, Gabriela; Sanchez, Wesley; Adams, William; Huang, Xiaomin; Kelly, Braden D.; Vohringer-Martinez, Esteban; Verstraelen, Toon; Heidar-Zadeh, Farnaz; Ayers, Paul W. 分享 收藏
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files IOData: 一个python库，用于读取、写入和转换计算化学文件格式并生成输入文件 Verstraelen, Toon; Adams, William; Pujal, Leila; Tehrani, Alireza; Kelly, Braden D.; Macaya, Luis; Meng, Fanwang; Richer, Michael; Hernandez-Esparza, Raymundo; Yang, Xiaotian Derrick; Chan, Matthew; Kim, Taewon David; Cools-Ceuppens, Maarten; Chuiko, Valerii; Vohringer-Martinez, Esteban; Ayers, Paul W.; Heidar-Zadeh, Farnaz 分享 收藏
分享 收藏
.png){kind=icon}
未登录.png){kind=icon}
.png){kind=icon}
.png){kind=icon}
.png){kind=icon}
.png){kind=icon}
