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‎.Rbuildignore‎

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^.*\.Rproj$
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^\.Rproj\.user$
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src/
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logo.png
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docs/
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pkgdown/

‎.Rinstignore‎

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src/

‎.gitattributes‎

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ScatCentTMat filter=lfs diff=lfs merge=lfs -text
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invScatCentTMat filter=lfs diff=lfs merge=lfs -text
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scaCoeffsJ filter=lfs diff=lfs merge=lfs -text
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incCoeffsJ filter=lfs diff=lfs merge=lfs -text
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invA.mat filter=lfs diff=lfs merge=lfs -text

‎.github/ISSUE_TEMPLATE/bug_report.md‎

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---
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name: Bug report
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about: Create a report to help us improve
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title: ''
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labels: bug
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assignees: ''
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---
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**Describe the bug**
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A clear and concise description of what the bug is.
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**To Reproduce**
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Steps to reproduce the behavior, including input file.
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**Expected behavior**
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A clear and concise description of what you expected to happen.
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**Screenshots**
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If applicable, add screenshots to help explain your problem.
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**Computer (please complete the following information):**
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- OS:
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- Compiler:
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- Libraries (HDF5, Lapack, etc.)
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**Additional context**
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Add any other context about the problem here.

‎.github/ISSUE_TEMPLATE/documentation.md‎

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---
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name: Documentation
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about: Suggest improvements to the documentation / examples
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title: ''
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labels: documentation
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assignees: ''
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---
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‎.github/ISSUE_TEMPLATE/feature_request.md‎

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---
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name: Feature request
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about: Suggest an idea for this project
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title: ''
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labels: enhancement
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assignees: ''
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---
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**Is your feature request readily implemented in software? Please describe.**
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A clear and concise description of what the new feature would provide.
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For general features that do not have yet a published algorithm, please [start a general Discussion](https://github.com/nano-optics/terms/discussions) instead.
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**Describe the solution you propose**
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A clear and concise description of what could be implemented, including theory and algorithm.
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**Describe existing implementations / alternatives**
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A clear and concise description of any existing solutions or alternatives.
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**Additional context**
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Add any other context or screenshots about the feature request here.

‎.gitignore‎

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# Prerequisites
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*.d
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# Compiled Object files
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*.slo
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*.lo
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*.o
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*.obj
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# Precompiled Headers
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*.gch
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*.pch
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# Compiled Dynamic libraries
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*.so
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*.dylib
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*.dll
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# Fortran module files
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*.mod
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*.smod
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# Compiled Static libraries
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*.lai
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*.la
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*.a
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*.lib
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# Executables
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*.exe
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*.out
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*.app
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# Latex auxiliary files
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*.aux
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*.bbl
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*.blg
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*.log
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*.synctex.gz
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*.m~
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# R stuff
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.Rhistory
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.Rproj.user
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.DS_Store
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# heavy files
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*.tmat
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*.h5
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terms_code.tar
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terms_code.zip
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vignettes/Keywords.html
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terms_code_0.9.9.tar
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terms_code_0.9.9.zip
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build/terms

‎.here‎

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‎CITATION.cff‎

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cff-version: 1.2.0
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message: "If you use this software, please cite it as below."
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title: "TERMS"
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abstract: TERMS stands for T-matrix for Electromagnetic Radiation with Multiple Scatterers — it is a Fortran program to simulate the near-field and far-field optical properties of collections of particles. TERMS solves rigorously the Maxwell equations via the superposition T-matrix method, where incident and scattered fields are decomposed into a basis of multipolar electric and magnetic spherical waves.
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authors:
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- family-names: "Schebarchov"
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given-names: "Dmitri"
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orcid: "https://orcid.org/0000-0002-8385-7186"
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- family-names: "Fazel-Najafabadi"
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given-names: "Atefeh"
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orcid: "https://orcid.org/0000-0001-9040-2596"
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- family-names: "Le Ru"
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given-names: "Eric"
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orcid: "https://orcid.org/0000-0002-3052-9947"
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- family-names: "Auguié"
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given-names: "Baptiste"
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orcid: "https://orcid.org/0000-0002-2749-5715"
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version: 1.0.0
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doi: 10.5281/zenodo.1234
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date-released: 2021-11-15
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url: "http://nano-optics.ac.nz/terms"
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license: MPL-2.0
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repository-code: "https://github.com/nano-optics/terms/"

‎CMakeLists.txt‎

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# Specify the minimum version for CMake
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cmake_minimum_required(VERSION 3.0.2)
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SET (PROJECTNAME "terms")
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PROJECT (${PROJECTNAME} Fortran)
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ENABLE_LANGUAGE(C)
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FIND_PACKAGE(LAPACK REQUIRED)
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FIND_PACKAGE(BLAS REQUIRED)
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FIND_PACKAGE(HDF5 COMPONENTS Fortran REQUIRED)
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# note: can specify a path with HDF5_ROOT to resolve conflicts,
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# e.g. on MacOS after brew install hdf5
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# export HDF5_ROOT=/usr/local/Cellar/hdf5/1.12.0_3/
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INCLUDE_DIRECTORIES(${HDF5_INCLUDE_DIR})
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set(sysLAPACK TRUE) # links with your system's lapack
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set(debug FALSE) # enables debug flags
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set(quad FALSE) # promotes all real(8) to real(16)
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if (quad AND sysLAPACK)
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message("ERROR: Quad precision incompatible with system's LAPACK linking")
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return()
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endif()
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if (debug)
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SET (CMAKE_Fortran_FLAGS "-Og -g -fbacktrace -Wall -Wsurprising -fbounds-check -fcheck=all \
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-ffpe-trap=overflow,denormal,underflow,invalid")
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else()
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SET (CMAKE_Fortran_FLAGS "-O3")
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endif()
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if (sysLAPACK)
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# extra="../src/extLibs/toms644.f"
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# SET (CMAKE_Fortran_FLAGS "-fexternal-blas")
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#libs="" # -L/usr/lib/x86_64-linux-gnu -llapack -lblas -lhdf5
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#libs="$libs -llapack -lblas "
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string(APPEND CMAKE_Fortran_FLAGS " -fexternal-blas ")
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#else()
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# extra=$( ls ../src/extLibs/*.{f,F})
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endif()
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if (quad)
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SET (CMAKE_Fortran_FLAGS "-freal-8-real-16")
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endif()
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#MKLROOT="/usr/lib/x86_64-linux-gnu"
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ADD_EXECUTABLE(terms src/eps.f90
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src/swav.f90
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src/sphmsv.f90
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src/miet.f90
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src/linalg.f90
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src/multiscat.f90
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src/termsProgram.f90
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src/HDFfive.f90
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src/extLibs/toms644.f
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)
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target_link_libraries(${PROJECTNAME} ${BLAS_LIBRARIES} ${LAPACK_LIBRARIES} ${HDF5_Fortran_LIBRARIES} ${ext_Fortran_LIBRARIES})
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