| doc/sphinx/sphinxext/ipython_console_highlighting.py | 74 | C 7 hrs |
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| doc/sphinx/standard_system.rst | |
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| doc/sphinx/storage.rst | |
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| doc/sphinx/tools.rst | |
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| doc/sphinx/tutorial.AdResS.rst | |
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| doc/sphinx/tutorial.AddNewPotential.rst | |
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| doc/sphinx/tutorial.LennardJones.rst | |
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| doc/sphinx/tutorial.LennardJones2.rst | |
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| doc/sphinx/tutorial.PolymerMelt.rst | |
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| doc/sphinx/tutorial.SystemSetup.rst | |
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| doc/sphinx/tutorial.ThermodynamicIntegration.rst | |
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| doc/sphinx/tutorial.rst | |
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| docker/Dockerfile.local | |
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| docker/build.sh | |
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| examples/add_particles_numpy/add_particles_numpy.py | 62 | F 3 days |
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| examples/adress/fadress_protein/ffbonded.itp | |
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| examples/adress/fadress_protein/ffnonbonded.itp | |
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| examples/adress/fadress_protein/forcefield.itp | |
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| examples/adress/fadress_protein/spce.itp | |
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| examples/adress/fadress_protein/table_CGwat_CGwat.xvg | |
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| examples/adress/fadress_protein/tabletf.xvg | |
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| examples/adress/fadress_protein/topol.top | |
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| examples/adress/fadress_protein/ubiquitin.py | 316 | F 3 days |
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| examples/adress/fadress_protein/ubiquitin_equil.gro | |
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| examples/adress/fadress_selfadjusting/ffbonded.itp | |
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| examples/adress/fadress_selfadjusting/ffnonbonded.itp | |
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| examples/adress/fadress_selfadjusting/forcefield.itp | |
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| examples/adress/fadress_selfadjusting/peptide-adres-selfadjusting.py | 304 | A 3 hrs |
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| examples/adress/fadress_selfadjusting/peptide.gro | |
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| examples/adress/fadress_selfadjusting/spce.itp | |
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| examples/adress/fadress_selfadjusting/table_CGwat_CGwat.tab | |
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| examples/adress/fadress_selfadjusting/table_CGwat_CGwat.xvg | |
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| examples/adress/fadress_selfadjusting/tabletf-1-1.xvg | |
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| examples/adress/fadress_selfadjusting/topol.top | |
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| examples/adress/fadress_tetraliquid/adress.espressopp | |
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| examples/adress/fadress_tetraliquid/adress.py | 161 | C 1 day |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_FEC/DensityProfile_Gibbs_Reference.dat | |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_FEC/PressureProfile_Helmholtz_Reference.dat | |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_FEC/Tetracryst.py | 45 | F 1 wk |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_FEC/equilibrated_conf.xyz | |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_FEC/hadressDensityFEC.py | 150 | C 1 day |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_FEC/hadressPressureFEC.py | 150 | F 4 days |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_FEC/table_FEC_Gibbs.dat | |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_FEC/table_FEC_Helmholtz.dat | |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_FEC/table_potential.dat | |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_KTI/Tetracryst.py | 45 | F 1 wk |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_KTI/equilibrated_confKTI.xyz | |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_KTI/hadressKTI.py | 217 | F 3 days |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_KTI/table_potential.dat | |
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| examples/adress/hadress_tetraliquid/hadress_tetraliquid_plain/DensityProfile_Reference.dat | |
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