Espresso is a project mainly written in C and TCL, based on the GPL-3.0 license.
This is the Molecular Dynamics software ESPResSo ("Extensible Simulation Package for the Research on Soft Matter Systems").
ESPResSo is a parallelized, flexible molecular dynamics simulation program for scientific coarse-grained simulations as they are used in soft matter research.
You can find documentation on how to compile, use and develop ESPResSo on the homepage at
http://espressomd.orgESPResSo is intended to be used by people that have proper knowledge of simulation techniques and know how to use them. We do not take responsibility if you use ESPResSo to create and publish bogus results. You have been warned!
If you use ESPResSo and obtain scientific results that you publish, we would ask you to acknowledge the usage of ESPResSo by referencing
Hans-Jörg Limbach, Axel Arnold, Bernward A. Mann and Christian
Holm.
"ESPResSo - An Extensible Simulation Package for Research on
Soft Matter Systems".
Comput. Phys. Commun. 174(9) (704-727), 2006.BibTeX record:
@ARTICLE{espresso, author = {Hans-J{"o}rg Limbach and Axel Arnold and Bernward A. Mann and Christian Holm}, title = {{ESPResSo} -- An Extensible Simulation Package for Research on Soft Matter Systems}, journal = {Comput. Phys. Commun.}, year = {2006}, volume = {174}, pages = {704--727}, number = {9}, month = may, doi = {10.1016/j.cpc.2005.10.005}, }
The following files are licensed and copyrighted as indicated below:
doc/dg/figs/bond_angle.fig doc/dg/figs/datastorage.gif doc/dg/figs/dihedral_angle.fig doc/dg/figs/directions.fig doc/dg/figs/elc_errordist.gif doc/dg/figs/ghost_cells.fig doc/dg/figs/ghost_communication.fig doc/dg/figs/linked_cells.fig doc/dg/figs/logo.png doc/dg/figs/move_to_p_buf.fig doc/dg/figs/particles.fig doc/ug/figures/dihedral-angle.fig doc/ug/figures/hbond.fig doc/ug/figures/logo.png doc/ug/figures/nacl-rdf.pdf doc/ug/figures/salt.png doc/maggs_doc/figs/cell.eps doc/maggs_doc/figs/charge_assig_cube.eps doc/maggs_doc/figs/initializationE.eps doc/maggs_doc/figs/initializationE.pdf doc/tutorials/tut2/figures/data/neutral-rho.data doc/tutorials/tut2/figures/data/nonneutral-rho.data doc/tutorials/tut2/figures/data/rdf_from_melt_00.data doc/tutorials/tut2/figures/data/rdf_from_melt_10.data doc/tutorials/tut2/figures/data/rdf_from_melt_11.data doc/tutorials/tut2/figures/data/rdf_lj_00.data doc/tutorials/tut2/figures/nacl-rdf.pdf doc/tutorials/tut2/figures/nacl.plot doc/tutorials/tut2/figures/neutral-rho.pdf doc/tutorials/tut2/figures/nonneutral-rho.pdf doc/tutorials/tut2/figures/salt.png packages/mbtools/doc/colloid_model.jpg packages/mbtools/doc/cylinder_membrane.jpg packages/mbtools/doc/flat_membrane.jpg packages/mbtools/doc/protein_model.jpg packages/mbtools/doc/sphere_membrane.jpg packages/mbtools/doc/torus_membrane.jpg packages/mbtools/doc/wrapped_colloid_densitymap.jpg packages/mbtools/examples/forcetables/9_095_11.tab packages/mbtools/examples/forcetables/n9_c140_22.tab packages/mbtools/examples/forcetables/n9_c160_22.tab packages/mbtools/examples/forcetables/sr_e10_c25.tab samples/adress/bond_tetra.tab samples/adress/cg_ic_tetra.tab samples/adress/cg_tetra.tab samples/adress/thermo_force.tab samples/maggs_correct_rdf.dat testsuite/analysis_system.data.00.gz testsuite/analysis_system.data.01.gz testsuite/analysis_system.data.02.gz testsuite/analysis_system.data.03.gz testsuite/analysis_system.data.04.gz testsuite/analysis_system.data.05.gz testsuite/analysis_system.data.06.gz testsuite/analysis_system.data.07.gz testsuite/analysis_system.data.08.gz testsuite/analysis_system.data.09.gz testsuite/analysis_system.data.10.gz testsuite/analysis_system.data.chk testsuite/comfixed_system.data testsuite/comforce_system.data testsuite/constraints_system.data testsuite/dh_system.data testsuite/el2d_system.data testsuite/el2d_system_die.data testsuite/fene_system.data.gz testsuite/gb_system.data testsuite/harm_system.data.gz testsuite/intpbc_system.data.gz testsuite/intppbc_system.data.gz testsuite/lb_system.data testsuite/lj-cos_system.data testsuite/lj1.tab testsuite/lj2.tab testsuite/lj3.tab testsuite/lj_system.data testsuite/mass_system.data testsuite/mmm1d_system.data testsuite/npt_lj_system.data testsuite/p3m_system.data testsuite/tabulated_system.data testsuite/thermostat.data testsuite/thermostat_rot.data testsuite/uwerr_test.data testsuite/Makefile.am testsuite/p3m-magnetostatics-t1.data testsuite/pe_micelle.data
"Copyright (C) 2010,2011 The ESPResSo project Copyright (C) 2002,2003,2004,2005,2006,2007,2008,2009,2010 Max-Planck-Institute for Polymer Research, Theory Group, PO Box 3148, 55021 Mainz, Germany
This file is part of ESPResSo.
ESPResSo is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
ESPResSo is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
You should have received a copy of the GNU General Public License along with this program. If not, see http://www.gnu.org/licenses/."
This file is licensed as follows:
Copyright (C) 2010,2011 The ESPResSo project
Copying and distribution of this file, with or without modification, are permitted in any medium without royalty provided the copyright notice and this notice are preserved. This file is offered as-is, without any warranty.