Merge pull request #109 from MRChemSoft/documentation

Documentation
MRChemSoft · Aug 28, 2023 · 22c6705 · 22c6705
2 parents c0eb87c + 05a1788
commit 22c6705
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Showing 25 changed files with 3,242 additions and 449 deletions.
diff --git a/.gitignore b/.gitignore
@@ -3,12 +3,14 @@ install*
 debug*
 .idea
 .ipynb_checkpoints
-*.ipynb
 *.swp
 cmake-build-debug
 .direnv
 .pytest_cache
 
+# Editor junk
+.vscode
+
 # Byte-compiled / optimized / DLL files
 __pycache__/
 *.py[cod]

diff --git a/cmake/custom/fetch_mrcpp.cmake b/cmake/custom/fetch_mrcpp.cmake
@@ -18,7 +18,7 @@ else()
     GIT_REPOSITORY
       https://github.com/MRChemSoft/mrcpp.git
     GIT_TAG
-      v1.5.0
+      5320eb433dcea82b177f5181ce12ab89f0b04a92
     )
 
   set(CMAKE_CXX_COMPILER ${CMAKE_CXX_COMPILER})

diff --git a/docs/bibliography.bib b/docs/bibliography.bib
@@ -35,3 +35,17 @@ @ARTICLE{Anderson2019-bx
   issn    = "2590-0552",
   doi     = "10.1016/j.jcpx.2019.100033"
 }
+
+@article{Tomasi2005,
+author = {Tomasi, Jacopo and Mennucci, Benedetta and Cammi, Roberto},
+title = {Quantum Mechanical Continuum Solvation Models},
+journal = {Chemical Reviews},
+volume = {105},
+number = {8},
+pages = {2999-3094},
+year = {2005},
+doi = {10.1021/cr9904009},
+note ={PMID: 16092826},
+URL = {  https://doi.org/10.1021/cr9904009},
+eprint = { https://doi.org/10.1021/cr9904009 }
+}
diff --git a/docs/conf.py b/docs/conf.py
@@ -109,9 +109,3 @@ def version_from_file(f):
     },
 }
 
-html_sidebars = {
-    "**": [
-        "searchbox.html",
-        "sbt-sidebar-nav.html",
-    ]
-}
diff --git a/docs/index.rst b/docs/index.rst
@@ -19,7 +19,15 @@ Check out the :doc:`usage` section for further information, including how to :re
    :caption: Contents
 
    usage
-   notebooks/vampyr_intro
+   notebooks/introduction
+   notebooks/function_representations
+   notebooks/multiwavelets
+   notebooks/poisson_equation
+   notebooks/helmholtz_equation
+   notebooks/hydrogen_atom
+   notebooks/helium_atom
+   notebooks/beryllium_atom
+   notebooks/multiwavelets
    notebooks/PCMSolvent
 
 .. toctree::