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Fix documentation

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Anthony Scemama 2021-10-14 21:57:28 +02:00
parent 1a713455f8
commit 7538a879fc
2 changed files with 36 additions and 16 deletions
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47
org/README.org
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@ -16,14 +16,23 @@ grep TITLE $(cat table_of_contents) | tr ':' ' '
#+end_src
#+RESULTS: toc
| qmckl.org | #+TITLE | Introduction | |
| qmckl_error.org | #+TITLE | Error | handling |
| qmckl_context.org | #+TITLE | Context | |
| qmckl_memory.org | #+TITLE | Memory | management |
| qmckl_numprec.org | #+TITLE | Numerical | precision |
| qmckl_electron.org | #+TITLE | Electrons | |
| qmckl_ao.org | #+TITLE | Atomic | Orbitals |
| qmckl_distance.org | #+TITLE | Inter-particle | distances |
| qmckl.org | #+TITLE | Introduction | | |
| qmckl_error.org | #+TITLE | Error | handling | |
| qmckl_context.org | #+TITLE | Context | | |
| qmckl_memory.org | #+TITLE | Memory | management | |
| qmckl_numprec.org | #+TITLE | Numerical | precision | |
| qmckl_distance.org | #+TITLE | Inter-particle | distances | |
| qmckl_nucleus.org | #+TITLE | Nucleus | | |
| qmckl_electron.org | #+TITLE | Electrons | | |
| qmckl_ao.org | #+TITLE | Atomic | Orbitals | |
| qmckl_mo.org | #+TITLE | Molecular | Orbitals | |
| qmckl_jastrow.org | #+TITLE | Jastrow | Factor | |
| qmckl_sherman_morrison_woodbury.org | #+TITLE | Sherman-Morrison-Woodbury | | |
| qmckl_utils.org | #+TITLE | Utility | functions | |
| qmckl_blas.org | #+TITLE | BLAS | functions | |
| qmckl_trexio.org | #+TITLE | TREXIO | I/O | library |
| qmckl_verificarlo.org | #+TITLE | Verificarlo | CI | |
| qmckl_tests.org | #+TITLE | Data | for | Tests |
#+begin_src python :var data=toc :exports results :results raw
result = []
@ -40,20 +49,30 @@ return '\n'.join(result)
- [[./qmckl_context.html][Context]]
- [[./qmckl_memory.html][Memory management]]
- [[./qmckl_numprec.html][Numerical precision]]
- [[./qmckl_distance.html][Inter-particle distances]]
- [[./qmckl_nucleus.html][Nucleus]]
- [[./qmckl_electron.html][Electrons]]
- [[./qmckl_ao.html][Atomic Orbitals]]
- [[./qmckl_distance.html][Inter-particle distances]]
- [[./qmckl_mo.html][Molecular Orbitals]]
- [[./qmckl_jastrow.html][Jastrow Factor]]
- [[./qmckl_sherman_morrison_woodbury.html][Sherman-Morrison-Woodbury]]
- [[./qmckl_utils.html][Utility functions]]
- [[./qmckl_blas.html][BLAS functions]]
- [[./qmckl_trexio.html][TREXIO I/O library]]
- [[./qmckl_verificarlo.html][Verificarlo CI]]
- [[./qmckl_tests.html][Data for Tests]]
--------------------------------
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.
implementation of the main kernels of Quantum Monte Carlo
methods.
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

5
org/table_of_contents
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@ -3,14 +3,15 @@ qmckl_error.org
qmckl_context.org
qmckl_memory.org
qmckl_numprec.org
qmckl_distance.org
qmckl_nucleus.org
qmckl_electron.org
qmckl_ao.org
qmckl_mo.org
qmckl_jastrow.org
qmckl_sherman_morrison_woodbury.org
qmckl_distance.org
qmckl_utils.org
qmckl_blas.org
qmckl_tests.org
qmckl_trexio.org
qmckl_verificarlo.org
qmckl_tests.org