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| .codecov.yml | |
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| .dockerignore | |
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| .github/workflows/Dockerfile | |
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| .github/workflows/format-command.yml | |
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| .github/workflows/slash-command-dispatch.yml | |
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| AUTHORS | |
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| CMakeLists.txt | |
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| COPYING | |
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| NEWS | |
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| README.md | |
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| bench/README | |
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| bench/lennard_jones/README | |
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| bench/lennard_jones/espresso/espresso_lennard_jones.tcl | |
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| bench/lennard_jones/espressopp/espressopp_lennard_jones.py | 105 | B 6 hrs |
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| bench/lennard_jones/gen_lennard_jones.py | 96 | C 7 hrs |
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| bench/lennard_jones/gromacs/grompp.mdp | |
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| bench/lennard_jones/gromacs/ring.itp | |
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| bench/lennard_jones/gromacs/topol.top | |
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| bench/lennard_jones/lammps/lammps_lennard_jones.in | |
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| bench/polymer_melt/README | |
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| bench/polymer_melt/espresso/espresso_polymer_melt.tcl | |
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| bench/polymer_melt/espressopp/espressopp_polymer_melt.py | 104 | A 2 hrs |
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| bench/polymer_melt/espressopp/espressopp_polymer_melt_tabulated.py | 123 | C 1 day |
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| bench/polymer_melt/gen_polymer_melt.py | 84 | A 1 hr |
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| bench/polymer_melt/gromacs/grompp.mdp | |
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| bench/polymer_melt/gromacs/ring.itp | |
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| bench/polymer_melt/gromacs/topol.top | |
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| bench/polymer_melt/lammps/lammps_polymer_melt.in | |
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| bench/polymer_melt/rings.dat | |
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| cmake/CheckCXXLibraryExists.cmake | |
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| cmake/CheckFunctionExists.cpp | |
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| cmake/FindFFTW3.cmake | |
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| cmake/FindHDF5.cmake | |
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| cmake/gitversion.cmake | |
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| doc/CMakeLists.txt | |
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| doc/sphinx/LANG_settings.bash | |
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| doc/sphinx/Makefile | |
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| doc/sphinx/README | |
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| doc/sphinx/_static/espp_logo.png | |
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| doc/sphinx/_static/espp_logo_blue.png | |
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| doc/sphinx/_static/favicon_blue.ico | |
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| doc/sphinx/_static/logo_theory_group.png | |
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| doc/sphinx/_static/mpi-p_logo.png | |
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| doc/sphinx/_static/old/Logo.png | |
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