From 7538a879fcc542c39d873fdc41f34081cc5ef08b Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 14 Oct 2021 21:57:28 +0200 Subject: [PATCH] Fix documentation --- org/README.org | 47 ++++++++++++++++++++++++++++++------------- org/table_of_contents | 5 +++-- 2 files changed, 36 insertions(+), 16 deletions(-) diff --git a/org/README.org b/org/README.org index 86bea66..ddbe385 100644 --- a/org/README.org +++ b/org/README.org @@ -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 diff --git a/org/table_of_contents b/org/table_of_contents index 45db916..2a74909 100644 --- a/org/table_of_contents +++ b/org/table_of_contents @@ -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