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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 #+end_src
#+RESULTS: toc #+RESULTS: toc
| qmckl.org | #+TITLE | Introduction | | | qmckl.org | #+TITLE | Introduction | | |
| qmckl_error.org | #+TITLE | Error | handling | | qmckl_error.org | #+TITLE | Error | handling | |
| qmckl_context.org | #+TITLE | Context | | | qmckl_context.org | #+TITLE | Context | | |
| qmckl_memory.org | #+TITLE | Memory | management | | qmckl_memory.org | #+TITLE | Memory | management | |
| qmckl_numprec.org | #+TITLE | Numerical | precision | | qmckl_numprec.org | #+TITLE | Numerical | precision | |
| qmckl_electron.org | #+TITLE | Electrons | | | qmckl_distance.org | #+TITLE | Inter-particle | distances | |
| qmckl_ao.org | #+TITLE | Atomic | Orbitals | | qmckl_nucleus.org | #+TITLE | Nucleus | | |
| qmckl_distance.org | #+TITLE | Inter-particle | distances | | 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 #+begin_src python :var data=toc :exports results :results raw
result = [] result = []
@ -40,20 +49,30 @@ return '\n'.join(result)
- [[./qmckl_context.html][Context]] - [[./qmckl_context.html][Context]]
- [[./qmckl_memory.html][Memory management]] - [[./qmckl_memory.html][Memory management]]
- [[./qmckl_numprec.html][Numerical precision]] - [[./qmckl_numprec.html][Numerical precision]]
- [[./qmckl_distance.html][Inter-particle distances]]
- [[./qmckl_nucleus.html][Nucleus]]
- [[./qmckl_electron.html][Electrons]] - [[./qmckl_electron.html][Electrons]]
- [[./qmckl_ao.html][Atomic Orbitals]] - [[./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 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 main kernels of Quantum Monte Carlo
implementation of the library, we focus on the definition of the API methods.
and the tests, and on a /pedagogical/ presentation of the In this particular implementation of the library, we focus on the
algorithms. We expect the HPC experts to use this repository as a definition of the API and the tests, and on a /pedagogical/
reference for re-writing optimized libraries. 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 The source code of the library is available at
https://github.com/trex-coe/qmckl 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_context.org
qmckl_memory.org qmckl_memory.org
qmckl_numprec.org qmckl_numprec.org
qmckl_distance.org
qmckl_nucleus.org qmckl_nucleus.org
qmckl_electron.org qmckl_electron.org
qmckl_ao.org qmckl_ao.org
qmckl_mo.org qmckl_mo.org
qmckl_jastrow.org qmckl_jastrow.org
qmckl_sherman_morrison_woodbury.org qmckl_sherman_morrison_woodbury.org
qmckl_distance.org
qmckl_utils.org qmckl_utils.org
qmckl_blas.org qmckl_blas.org
qmckl_tests.org
qmckl_trexio.org qmckl_trexio.org
qmckl_verificarlo.org
qmckl_tests.org