TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-12-22 12:23:56 +01:00
Code Issues Projects Releases Wiki Activity
31 Commits 16 Branches 9 Tags 96 MiB
Python 71.9%
C 22.3%
M4 2.5%
CSS 1%
Shell 0.7%
Other 1.6%
87cfdc88d3
Go to file
Anthony Scemama 87cfdc88d3 updated tests, but tests fail
2020-10-16 19:52:11 +02:00
.github/workflows Fix CI dependencies: must install emacs to untangle org files (#5) 2020-10-15 12:17:20 +02:00
src updated tests, but tests fail 2020-10-16 19:52:11 +02:00
LICENSE Initial commit 2020-10-13 15:08:11 +02:00
README.md Update README.md 2020-10-16 18:32:25 +02:00
TODO.org Fixed type in free 2020-10-15 12:36:52 +02:00

README.md

QMCkl: Quantum Monte Carlo Kernel Library

Build Status

The domain of quantum chemistry needs a library in which the main kernels of Quantum Monte Carlo (QMC) methods are implemented. In the library proposed in this project, we expose the main algorithms in a simple language and provide a standard API and tests to enable the development of high-performance QMCkl implementations taking advantage of modern hardware.

See the source code to read the documentation.

European flag TREX: Targeting Real Chemical Accuracy at the Exascale project has received funding from the European Union’s Horizon 2020 - Research and Innovation program - under grant agreement no. 952165. The content of this document does not represent the opinion of the European Union, and the European Union is not responsible for any use that might be made of such content.