deploy: 772c028

.gitignore

@@ -0,0 +1,90 @@
+# Prerequisites
+*.d
+
+# Compiled Object files
+*.slo
+*.lo
+*.o
+*.obj
+
+# Precompiled Headers
+*.gch
+*.pch
+
+# Compiled Dynamic libraries
+*.so
+*.dylib
+*.dll
+
+# Fortran module files
+*.mod
+*.smod
+
+# Compiled Static libraries
+*.lai
+*.la
+*.a
+*.lib
+
+# Executables
+*.exe
+*.out
+*.app
+
+# Test files
+test/*
+!test/macros.hpp
+!test/*.cpp
+!test/datapath.in.h
+!test/catch
+!test/data
+!test/CMakeLists.txt
+
+# Doc files
+docs/*.aux
+docs/*.blg
+docs/*.bbl
+docs/*.log
+docs/*.synctex.gz
+
+# Build directory
+build/*
+
+# Downloaded data files
+utils/*.dat
+!utils/abundant.dat
+!utils/nuclear_radii.dat
+
+# VS Code
+.vscode
+
+# Tags files
+TAGS
+.TAGS
+!TAGS/
+tags
+.tags
+!tags/
+gtags.files
+GTAGS
+GRTAGS
+GPATH
+GSYMS
+cscope.files
+cscope.out
+cscope.in.out
+cscope.po.out
+
+# Sphinx
+.DS_Store
+.idea
+_build
+__source
+__test
+.doctrees
+doctrees
+.buildinfo
+objects.inv
+_plantuml
+__pycache__
+docs/build/*

CMakeLists.txt

@@ -0,0 +1,15 @@
+cmake_minimum_required(VERSION 3.0)
+project(MuDirac VERSION 1.0.1)
+
+# The standard is C++ 11
+set(CMAKE_CXX_STANDARD 11)
+
+# Define the core files as static libraries
+add_subdirectory(lib)
+
+# Main executables
+add_subdirectory(src bin)
+
+# Now, test executables
+enable_testing()
+add_subdirectory(test)

CONTRIBUTING.md

@@ -0,0 +1,4 @@
+# Contributing Guidelines
+*Bug reports, pull request and other forms of contributions are welcomed.*
+
+Our [contributing guidelines](https://muon-spectroscopy-computational-project.github.io/contributions.html) are available in the Muon Spectroscopy Computational Project [website](https://muon-spectroscopy-computational-project.github.io/).

LICENSE

@@ -0,0 +1,15 @@
+MIT License
+
+Copyright 2020 Science and Technology Facility Council
+
+Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), 
+to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, 
+and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, 
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY,
+WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
+
+

README.md

@@ -0,0 +1,39 @@
+# MuDirac
+A muonic atom Dirac equation solver.
+
+## Contact
+[email protected]
+
+## Compiling
+
+To compile, create a directory called `build`; then, within that directory, execute the commands
+
+    cmake ..
+    make mudirac
+
+In order to run the test suite, within the same directory, run
+
+    make tests
+    make test
+
+and wait for a few seconds for the tests to complete. If you want `mudirac` to be accessible from any folder in your computer, add the resulting `bin` directory to your system `PATH` environment variable.
+
+## Running
+
+Simulations can be run simply with the command
+
+   mudirac input.in
+
+where the `.in` file can have any name one prefers. A full list of keywords employable in the `.in` file and their meaning can be found in `docs/Keywords.pdf`.
+
+## Citing MuDirac
+
+For the theoretical background on the software and examples of its applications, see the published paper:
+
+*Sturniolo, S, Hillier, A.* Mudirac: A Dirac equation solver for elemental analysis with muonic X‐rays. *X‐Ray Spectrom. ***2020***; 1– 17.* [https://doi.org/10.1002/xrs.3212](https://doi.org/10.1002/xrs.3212)
+
+Cite the above paper if you make use of the software in your work too.
+
+## Acknowledgments 
+
+Written with funding from the Ada Lovelace Centre, in collaboration with the ISIS Muon Group.