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Documentation #96

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Documentation #96

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83530e6
Work on documentation
bjorgve Jan 18, 2023
88e5023
Add hydrogen atom example
bjorgve Jan 28, 2023
01adce9
Add helium atom
bjorgve Jan 28, 2023
2f5836a
Avoid killed kernel with badly defined analytic functions
bjorgve Jan 28, 2023
74644f2
update convolution operator and add comment to error catch
bjorgve Jan 30, 2023
0b23e1c
Add Beryllium atom notebook
bjorgve Jan 30, 2023
7c3f0c5
Update notebooks
bjorgve Feb 16, 2023
417ec2f
Update link to current mrcpp master
bjorgve Feb 17, 2023
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4 changes: 3 additions & 1 deletion .gitignore
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Original file line number Diff line number Diff line change
Expand Up @@ -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]
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2 changes: 1 addition & 1 deletion cmake/custom/fetch_mrcpp.cmake
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Expand Up @@ -18,7 +18,7 @@ else()
GIT_REPOSITORY
https://github.com/MRChemSoft/mrcpp.git
GIT_TAG
1a6d450ac356feffba5c5cb2d02b92a875dbb9aa
e2f0e7e897261dbf
)

set(CMAKE_CXX_COMPILER ${CMAKE_CXX_COMPILER})
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1 change: 1 addition & 0 deletions docs/conf.py
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Expand Up @@ -111,6 +111,7 @@ def version_from_file(f):
html_sidebars = {
"**": [
"sidebar-logo.html",
"searchbox.html",
"sbt-sidebar-nav.html",
]
}
10 changes: 9 additions & 1 deletion docs/index.rst
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Expand Up @@ -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::
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