Source code (tar.bz2) Source code (tar) Evidence collection qe-7.4-evidences-10096985.jsonbf45501b Collected 3 months ago Release notes Quantum ESPRESSO 7.4 Parameter lambda for fixed_magnetization = 'atomic' and 'atomic direction' modified and made uniform with all other constraints - courtesy Ta...
We describe the porting of PWscf (Plane-Wave Self Consistent Field), a key component of the QUANTUM ESPRESSO open-source suite of codes for materials modeling, to GPU systems using CUDA Fortran. Kernel loop directives (CUF kernels) have been extensively used in order to have a single source ...
Don't miss out on the latest training for a MaX code! If you missed it, you can still access all the educational materials and resources through Lhumos, the Learning Hub for Modelling and Simulation. This is a great opportunity to enhance your... Quantum Espresso UsersQuantum Espresso Us...
官网发布的才80M https://www.quantum-espresso.org/quantum-espresso-7-2/
A code generator for XSD schemas QEF/xsdtools’s past year of commit activity Fortran3400UpdatedSep 27, 2024 benchmarksPublic Benchmark calculations with Quantum Espresso QEF/benchmarks’s past year of commit activity Shell12MIT1200UpdatedSep 25, 2024 ...
一、前言 最近有人问我能不能帮忙在服务器上装个Quantum Espresso (简称 QE)，并且要能使用slurm系统...
Quantum Espresson(以下简称 QE)是一款基于平面波函数的开源第一性原理计算框架,其免费、易安装使用等优点受到了广大第一性原理计算研究人员的喜爱。QE 不仅支持 CPU 的并行高性能计算,还支持 GPU 计算。这看起来有点像是计算机专业里的深度学习框架,有完整的计算加速支持。另外,QE 与 VASP 的使用习惯类似度比较高...
quantum-espresso UpdatedOct 21, 2024 Fortran pierrehirel/atomsk Star203 Code Issues Pull requests Atomsk: A Tool For Manipulating And Converting Atomic Data Files - gulpopen-sourcesciencecheminformaticsvaspatomic-designlammpscifphysics-simulationmaterials-scienceab-initioquantum-espressofile-conversionatomistic...
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudo-po...
Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structurecalculations and materials modeling, based on density-functional theory, ......