Search Results for "miui-arm64-ab"

SPX, which stands for Simple Profiling eXtension, is just another profiling extension for PHP. It differentiates itself from other similar extensions as being totally free and confined to your infrastructure (i.e. no data leaks to a SaaS). Very simple to use: just set an environment variable (command line) or switch on a radio button (web request) to profile your script. Thus, you are free of manually instrumenting your code (Ctrl-C a long running command line script is even supported)....

...atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: - Classical MD : DL-POLY and LAMMPS - ab-initio MD : CPMD and CP2K - QM-MM MD : CPMD and CP2K atomes is developed by Dr. Sébastien Le Roux, research engineer for the CNRS Dr. Sébastien Le Roux works at the Institut de Physique et Chimie des Matériaux de Strasbourg.

DeepH-pack is the official implementation of the DeepH (Deep Hamiltonian) method described in the paper Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation and in the Research Briefing. DeepH-pack supports DFT results made by ABACUS, OpenMX, FHI-aims or SIESTA and will support HONPAS.

The CCP1GUI project aims to develop a free, extensible Graphical User Interface to various computational chemistry codes developed by the worldwide academic community, with an emphasis on ab initio Quantum Chemistry codes.