├── .github └── workflows │ └── code-snippets.yml ├── .gitignore ├── .readthedocs.yaml ├── LICENSE ├── Makefile ├── README.rst ├── config ├── .bashrc └── .vimrc ├── doc ├── _static │ └── custom.css ├── apps-ex.rst ├── apps-recommendations.rst ├── apps-report.rst ├── apps-setup.rst ├── conf.py ├── img │ ├── atom-new-folder.png │ ├── atom-new.png │ ├── atom-run.png │ ├── atom-terminal.png │ ├── benzoquinone.png │ ├── carbenes.pdf │ ├── carbenes.png │ ├── ch4_oh.png │ ├── indigo.pdf │ ├── indigo.png │ ├── monte-carlo.png │ ├── monte-carlo.svg │ ├── ng_ch4.png │ ├── nmr2018.pdf │ ├── nmr2018.png │ ├── nmr2018_2.pdf │ ├── nmr2018_2.png │ ├── nmr24.png │ ├── powershell_open.png │ ├── trapezoidal-rule.png │ ├── trapezoidal-rule.svg │ ├── ubuntu_install_1.png │ └── ubuntu_install_2.png ├── index.rst ├── prog-fortran.rst ├── prog-scf.rst ├── setup-linux.rst ├── setup-pre.rst ├── src │ ├── accuracy.1.f90 │ ├── accuracy.2.f90 │ ├── add.1.f90 │ ├── add.1.txt │ ├── array.1.f90 │ ├── array.1.txt │ ├── array.2.f90 │ ├── array.2.txt │ ├── array_rank.1.f90 │ ├── array_rank.1.txt │ ├── array_sum.1.f90 │ ├── array_sum.1.txt │ ├── derived_types.f90 │ ├── derived_types_sol.f90 │ ├── fpm.1.f90 │ ├── hello.1.f90 │ ├── kinds.1.f90 │ ├── literals.1.f90 │ ├── loop.1.f90 │ ├── loop.1.txt │ ├── makefile │ ├── numbers.1.f90 │ ├── numbers.2.f90 │ ├── numbers.2.txt │ ├── roots.1.f90 │ ├── roots.1.txt │ ├── shortest.1.f90 │ ├── sum.1.f90 │ ├── sum.1.txt │ ├── sum.2.f90 │ ├── sum.2.txt │ ├── sum_func.1.f90 │ ├── sum_func.1.txt │ ├── sum_func.2.f90 │ ├── sum_func.2.txt │ ├── sum_sub.1.f90 │ ├── sum_sub.1.txt │ ├── while.1.f90 │ └── while.1.txt └── symbols.txt ├── make.bat ├── requirements.txt └── scf ├── app ├── main.f90 └── prog.f90 ├── fpm.toml ├── makefile ├── molecules ├── be.in ├── h2.in ├── he.in └── lih.in ├── script.bash └── src ├── integrals.f90 ├── io_tools.f90 ├── lapack.f90 ├── linear_algebra.f90 ├── print_matrix.f90 └── slater.f90 /.github/workflows/code-snippets.yml: 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