├── .gitignore ├── CMakeLists.txt ├── GPUtil.py ├── LICENSE ├── README.md ├── __init__.py.in ├── blas.h ├── blas_mangle.h ├── ccsd.cu ├── ccsd.h ├── cmake ├── autocmake_omp.cmake └── gpu_dfccConfig.cmake.in ├── dfcc_fnocc.h ├── do-configure ├── doc.rst ├── extras.py ├── frozen_natural_orbitals.h ├── gpu_dfcc.cu ├── gpuhelper.cu ├── gpuhelper.h ├── gpuhelper_driver.cc ├── gpuonly.h ├── input.dat ├── pymodule.py ├── tests ├── conftest.py ├── gpu_dfcc1 │ ├── input.dat │ └── output.ref ├── gpu_dfcc2 │ ├── input.dat │ └── output.ref └── test_psiapi.py └── triples.cu /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/edeprince3/gpu_dfcc/HEAD/.gitignore -------------------------------------------------------------------------------- /CMakeLists.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/edeprince3/gpu_dfcc/HEAD/CMakeLists.txt 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