README.md

libxc-tests

LIBXC inputs and validation files for GAMESS testing

Directory structure

libxc-tests/
└── dft-libxc/parallel/
    ├── default_dft        Standard ground-state DFT tests using LibXC
    ├── default_tddft      Some standard excited-state DFT tests using LibXC
    ├── functionals_dft    Tests of ground-state LibXC functionals ($LIBXC group)
    ├── functionals_tddft  Tests of excited-state LibXC functionals ($LIBXC group)
    └── mod_nameio         Tests of reader