GitHub is where people build software. More than 150 million people use GitHub to discover, fork, and contribute to over 420 million projects.
128followers http://www.quantum-espresso.org/ Popular repositoriesLoading q-eq-ePublic Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead. Fortran581288 q-e_oldq-e_oldPublic ...
1. 下载Quantum Espresso https://github.com/QEF/q-e/releasesgithub.com/QEF/q-e/releases 2. 将安装包复制到ubuntu虚拟机中,然后解压 tar -xvf qe-6.8-ReleasePack.tgz 3. 进入qe-6.8目录,配置安装相关环境变量 cd qe-6.8/ # 默认都是用intel的编译器 ./configure CC=icc F77=ifort CXX=icpc F9...
Python A wrapper for Quantum Espresso input and XML output (6.2) in early stages. quantum-chemistryquantum-espressoquantum-espresso-suite UpdatedApr 4, 2018 Python ltalirz/upf-schema Star1 Code Issues Pull requests An XML schema definition for the Unified Pseudopotential Format of the Quantum Espre...
For helix, refer to https://github.com/qiaojunfeng/tree-sitter-wannier90/blob/main/docs/helix.md Development # Install dev dependencies npm build # Generate parser & language bindings tree-sitter generate # Test grammar tree-sitter test Reference See also tree-sitter-wannier90. https://tree-si...
GitHub is where people build software. More than 100 million people use GitHub to discover, fork, and contribute to over 420 million projects.
git clone https://github.com/dceresoli/qe-gipaw.git cd qe-gipaw ./configure --with-qe-source="QE folder containing make.inc" make Source releases Official source releases are foundhere. News Jan 18, 2018: addedtools/NMR_tensor-convention.pyto convert NMR shielding tensors anysotropy in va...
0 comments on commit dbe7b6b Please sign in to comment. Footer © 2025 GitHub, Inc. Footer navigation Terms Privacy Security Status Docs Contact Manage cookies Do not share my personal information
The implementation of calculating the ERIs via pair densities is inspired by WEST and its implementation on GitHub, especially the code in the compute_eri_vc function. Publications related when citing WEST: Large Scale GW Calculations, M. Govoni and G. Galli, J. Chem. Theory Comput. 11, 2680...
Quantum ESPRESSO has 24 repositories available. Follow their code on GitHub.