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Anthony Scemama 5c40916bf3 Fixed module depend
2021-05-12 01:51:26 +02:00
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hpc Working on automake 2021-05-11 11:45:49 +02:00
.gitignore Complete build OK 2021-05-12 00:22:51 +02:00
qmckl_ao.org Removed need for munit 2021-05-11 16:47:22 +02:00
qmckl_context.org Removed need for munit 2021-05-11 16:47:22 +02:00
qmckl_distance.org Removed need for munit 2021-05-11 16:47:22 +02:00
qmckl_electron.org Removed need for munit 2021-05-11 16:47:22 +02:00
qmckl_error.org Removed need for munit 2021-05-11 16:47:22 +02:00
qmckl_memory.org Removed need for munit 2021-05-11 16:47:22 +02:00
qmckl_numprec.org Removed need for munit 2021-05-11 16:47:22 +02:00
qmckl.org Working on automake 2021-05-11 11:45:49 +02:00
README.org Fixed module depend 2021-05-12 01:51:26 +02:00
table_of_contents Fixed module depend 2021-05-12 01:51:26 +02:00

README.org

QMCkl source code documentation

The .org files is included here in the order specified in the table_of_contents file.

The ultimate goal of the QMCkl library is to provide a high-performance implementation of the main kernels of QMC. In this particular implementation of the library, we focus on the definition of the API and the tests, and on a pedagogical presentation of the algorithms. We expect the HPC experts to use this repository as a reference for re-writing optimized libraries.

The source code of the library is available at https://github.com/trex-coe/qmckl and bug reports should be submitted at https://github.com/trex-coe/qmckl/issues.

https://trex-coe.eu/sites/default/files/inline-images/euflag.jpg 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.