[ol8_developer_EPEL] python3-espresso-mpich-4.1.3-1.el8.x86_64

ESPResSo can perform Molecular Dynamics simulations of bead-spring models
in various ensembles ((N,V,E), (N,V,T), and (N,p,T)).
ESPResSo contains a number of advanced algorithms, e.g.
    * DPD thermostat (for hydrodynamics)
    * P3M, MMM2D, MMM1D, ELC for electrostatic interactions
    * Lattice-Boltzmann for hydrodynamics

This package contains espresso compiled against MPICH2.

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  • usr

    • lib

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    • lib64

      • python3.6

        • site-packages

          • mpich

            • espressomd

              • EspressoConfig.so

              • EspressoCore.so

              • EspressoScriptInterface.so

              • H5mdCore.so

              • MDA_ESP

                • __init__.py

                • __pycache__

                  • __init__.cpython-36.opt-1.pyc

                  • __init__.cpython-36.pyc

              • Shapes.so

              • __cinit__.py

              • __init__.py

              • __pycache__

                • __cinit__.cpython-36.opt-1.pyc

                • __cinit__.cpython-36.pyc

                • __init__.cpython-36.opt-1.pyc

                • __init__.cpython-36.pyc

                • accumulators.cpython-36.opt-1.pyc

                • accumulators.cpython-36.pyc

                • checkpointing.cpython-36.opt-1.pyc

                • checkpointing.cpython-36.pyc

                • cluster_analysis.cpython-36.opt-1.pyc

                • cluster_analysis.cpython-36.pyc

                • comfixed.cpython-36.opt-1.pyc

                • comfixed.cpython-36.pyc

                • constraints.cpython-36.opt-1.pyc

                • constraints.cpython-36.pyc

                • drude_helpers.cpython-36.opt-1.pyc

                • drude_helpers.cpython-36.pyc

                • ekboundaries.cpython-36.opt-1.pyc

                • ekboundaries.cpython-36.pyc

                • gen_code_info.cpython-36.opt-1.pyc

                • gen_code_info.cpython-36.pyc

                • gen_pxiconfig.cpython-36.opt-1.pyc

                • gen_pxiconfig.cpython-36.pyc

                • highlander.cpython-36.opt-1.pyc

                • highlander.cpython-36.pyc

                • lbboundaries.cpython-36.opt-1.pyc

                • lbboundaries.cpython-36.pyc

                • observables.cpython-36.opt-1.pyc

                • observables.cpython-36.pyc

                • pair_criteria.cpython-36.opt-1.pyc

                • pair_criteria.cpython-36.pyc

                • shapes.cpython-36.opt-1.pyc

                • shapes.cpython-36.pyc

                • virtual_sites.cpython-36.opt-1.pyc

                • virtual_sites.cpython-36.pyc

              • _init.so

              • accumulators.py

              • actors.so

              • analyze.so

              • cellsystem.so

              • checkpointing.py

              • cluster_analysis.py

              • code_info.so

              • collision_detection.so

              • comfixed.py

              • constraints.py

              • core_cluster_analysis.so

              • cuda_init.so

              • diamond.so

              • drude_helpers.py

              • ekboundaries.py

              • electrokinetics.so

              • electrostatic_extensions.so

              • electrostatics.so

              • galilei.so

              • gen_code_info.py

              • gen_pxiconfig.py

              • globals.so

              • highlander.py

              • integrate.so

              • interactions.so

              • io

                • __init__.py

                • __pycache__

                  • __init__.cpython-36.opt-1.pyc

                  • __init__.cpython-36.pyc

                  • mpiio.cpython-36.opt-1.pyc

                  • mpiio.cpython-36.pyc

                • mpiio.py

                • writer

                  • __init__.py

                  • __pycache__

                    • __init__.cpython-36.opt-1.pyc

                    • __init__.cpython-36.pyc

                    • h5md.cpython-36.opt-1.pyc

                    • h5md.cpython-36.pyc

                    • vtf.cpython-36.opt-1.pyc

                    • vtf.cpython-36.pyc

                  • h5md.py

                  • vtf.py

              • lb.so

              • lbboundaries.py

              • magnetostatic_extensions.so

              • magnetostatics.so

              • minimize_energy.so

              • mpiio.so

              • observables.py

              • pair_criteria.py

              • particle_data.so

              • pdbparser.so

              • pdbreader.so

              • polymer.so

              • profiler.so

              • reaction_ensemble.so

              • scafacos.so

              • script_interface.so

              • shapes.py

              • system.so

              • thermostat.so

              • utils.so

              • version.so

              • virtual_sites.py

              • visualization.so

              • visualization_mayavi.so

              • visualization_opengl.so