repo stringlengths 2 99 | file stringlengths 13 225 | code stringlengths 0 18.3M | file_length int64 0 18.3M | avg_line_length float64 0 1.36M | max_line_length int64 0 4.26M | extension_type stringclasses 1
value |
|---|---|---|---|---|---|---|
espressopp | espressopp-master/src/integrator/TDforce.py | # Copyright (C) 2017,2018
# Jakub Krajniak (jkrajniak at gmail.com), Max Planck Institute for Polymer Research
# Copyright (C) 2012,2013,2014,2015,2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# Thi... | 5,445 | 49.425926 | 312 | py |
espressopp | espressopp-master/src/integrator/FreeEnergyCompensation.py | # Copyright (C) 2012-2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008-2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# 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... | 4,641 | 45.42 | 323 | py |
espressopp | espressopp-master/src/integrator/VelocityVerletRESPA.py | # Copyright (C) 2018
# Max Planck Institute for Polymer Research
#
# 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, o... | 4,035 | 41.041667 | 498 | py |
espressopp | espressopp-master/src/integrator/BerendsenBarostat.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 4,268 | 30.160584 | 99 | py |
espressopp | espressopp-master/src/integrator/CapForce.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 2,706 | 35.581081 | 112 | py |
espressopp | espressopp-master/src/integrator/ExtAnalyze.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 2,409 | 34.441176 | 112 | py |
espressopp | espressopp-master/src/integrator/LBInitPopUniform.py | # Copyright (C) 2012-2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2008-2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of the GNU Gen... | 1,977 | 33.103448 | 112 | py |
espressopp | espressopp-master/src/integrator/EmptyExtension.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 1,726 | 33.54 | 112 | py |
espressopp | espressopp-master/src/integrator/LatticeBoltzmann.py | # Copyright (C) 2012-2016,2017(H)
# Max Planck Institute for Polymer Research
# Copyright (C) 2008-2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of the... | 9,331 | 33.562963 | 214 | py |
espressopp | espressopp-master/src/integrator/StochasticVelocityRescaling.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 1,912 | 35.788462 | 112 | py |
espressopp | espressopp-master/src/integrator/LBInitPeriodicForce.py | # Copyright (C) 2012-2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2008-2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of the GNU Gen... | 2,633 | 35.082192 | 112 | py |
espressopp | espressopp-master/src/integrator/LBInitConstForce.py | # Copyright (C) 2012-2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2008-2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of the GNU Gen... | 2,224 | 34.887097 | 112 | py |
espressopp | espressopp-master/src/integrator/OnTheFlyFEC.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 3,921 | 34.017857 | 116 | py |
espressopp | espressopp-master/src/integrator/BerendsenBarostatAnisotropic.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 4,350 | 31.470149 | 99 | py |
espressopp | espressopp-master/src/integrator/MinimizeEnergy.py | # Copyright (C) 2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2016
# Jakub Krajniak (jkrajniak at gmail.com)
#
# 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 b... | 4,313 | 34.95 | 164 | py |
espressopp | espressopp-master/src/integrator/LangevinThermostat1D.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 1,977 | 34.321429 | 112 | py |
espressopp | espressopp-master/src/integrator/__init__.py | # Copyright (C) 2012-2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008-2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# 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... | 3,115 | 44.823529 | 111 | py |
espressopp | espressopp-master/src/integrator/DPDThermostat.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 1,933 | 32.344828 | 112 | py |
espressopp | espressopp-master/src/integrator/LBInit.py | # Copyright (C) 2012-2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2008-2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of the GNU Gen... | 3,056 | 35.831325 | 199 | py |
espressopp | espressopp-master/src/integrator/ExtForce.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 2,112 | 34.813559 | 112 | py |
espressopp | espressopp-master/src/integrator/LangevinThermostat.py | # Copyright (C) 2012,2013,2014,2015,2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the... | 2,954 | 36.884615 | 278 | py |
espressopp | espressopp-master/src/integrator/BerendsenThermostat.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 3,864 | 29.92 | 102 | py |
espressopp | espressopp-master/src/integrator/LangevinThermostatOnRadius.py | # Copyright (C) 2018, 2017
# Max Planck Institute for Polymer Research
#
# 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 ... | 2,846 | 36.460526 | 112 | py |
espressopp | espressopp-master/src/integrator/Adress.py | # Copyright (C) 2012-2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008-2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# 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... | 4,815 | 54.356322 | 679 | py |
espressopp | espressopp-master/src/integrator/AssociationReaction.py | r"""
*****************************************
espressopp.integrator.AssociationReaction
*****************************************
"""
from espressopp.esutil import cxxinit
from espressopp import pmi
from espressopp.integrator.Extension import *
from _espressopp import integrator_AssociationReaction
class Associatio... | 951 | 35.615385 | 112 | py |
espressopp | espressopp-master/src/integrator/LangevinThermostatHybrid.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 3,363 | 42.688312 | 300 | py |
espressopp | espressopp-master/src/integrator/MDIntegrator.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 2,795 | 31.894118 | 112 | py |
espressopp | espressopp-master/src/integrator/VelocityVerlet.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 1,822 | 33.396226 | 112 | py |
espressopp | espressopp-master/src/interaction/Harmonic.py | # Copyright (C) 2012-2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008-2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# 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... | 21,038 | 41.589069 | 232 | py |
espressopp | espressopp-master/src/interaction/SmoothSquareWell.py | # Copyright (C) 2017,2018
# Max Planck Institute for Polymer Research
#
# 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 Licen... | 7,137 | 45.960526 | 192 | py |
espressopp | espressopp-master/src/interaction/TabulatedSubEnsDihedral.py | # Copyright (C) 2018-2020
# Max Planck Institute for Polymer Research
#
# 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 Licen... | 6,669 | 41.21519 | 136 | py |
espressopp | espressopp-master/src/interaction/LennardJonesEnergyCapped.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 13,173 | 36.64 | 126 | py |
espressopp | espressopp-master/src/interaction/OPLS.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 3,363 | 30.439252 | 112 | py |
espressopp | espressopp-master/src/interaction/CoulombKSpaceEwald.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 5,786 | 31.694915 | 114 | py |
espressopp | espressopp-master/src/interaction/DihedralPotential.py | # Copyright (C) 2012,2013,2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of ... | 2,711 | 37.197183 | 112 | py |
espressopp | espressopp-master/src/interaction/SingleParticlePotential.py | # Copyright (C) 2014
# Pierre de Buyl
# Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it ... | 2,497 | 29.096386 | 112 | py |
espressopp | espressopp-master/src/interaction/CoulombTruncatedUniqueCharge.py | # Copyright (C) 2012,2013,2015,2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the ... | 7,179 | 39.564972 | 237 | py |
espressopp | espressopp-master/src/interaction/TabulatedSubEnsAngular.py | # Copyright (C) 2018-2020
# Max Planck Institute for Polymer Research
#
# 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 Licen... | 5,923 | 40.138889 | 128 | py |
espressopp | espressopp-master/src/interaction/StillingerWeberPairTermCapped.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 11,269 | 36.317881 | 136 | py |
espressopp | espressopp-master/src/interaction/AngularCosineSquared.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 5,460 | 38.861314 | 122 | py |
espressopp | espressopp-master/src/interaction/DihedralHarmonicNCos.py | # Copyright (C) 2014,2016
# Jakub Krajniak
# Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribut... | 5,241 | 33.486842 | 108 | py |
espressopp | espressopp-master/src/interaction/GravityTruncated.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 3,972 | 31.834711 | 110 | py |
espressopp | espressopp-master/src/interaction/StillingerWeberTripleTerm.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 7,323 | 35.62 | 124 | py |
espressopp | espressopp-master/src/interaction/StillingerWeberPairTerm.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 10,546 | 35.49481 | 124 | py |
espressopp | espressopp-master/src/interaction/TersoffPairTerm.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 6,514 | 30.936275 | 108 | py |
espressopp | espressopp-master/src/interaction/LJcos.py | # Copyright (C) 2012-2016 Max Planck Institute for Polymer Research
# Copyright (C) 2008-2011 Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# 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 Lice... | 10,076 | 32.929293 | 112 | py |
espressopp | espressopp-master/src/interaction/LennardJones.py | # Copyright (C) 2012-2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008-2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# 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... | 58,081 | 47.041356 | 336 | py |
espressopp | espressopp-master/src/interaction/CoulombTruncated.py | # Copyright (C) 2012,2013,2015,2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the ... | 6,276 | 43.204225 | 238 | py |
espressopp | espressopp-master/src/interaction/Potential.py | # Copyright (C) 2012,2013,2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of ... | 3,873 | 32.396552 | 116 | py |
espressopp | espressopp-master/src/interaction/LennardJonesGeneric.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 15,811 | 37.009615 | 118 | py |
espressopp | espressopp-master/src/interaction/Morse.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 9,648 | 33.338078 | 112 | py |
espressopp | espressopp-master/src/interaction/TabulatedAngular.py | # Copyright (C) 2017,2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2016
# Jakub Krajniak (jkrajniak at gmail.com)
# Copyright (C) 2012,2013,2014,2015
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & F... | 11,283 | 38.317073 | 198 | py |
espressopp | espressopp-master/src/interaction/LennardJonesAutoBonds.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 9,989 | 37.571429 | 160 | py |
espressopp | espressopp-master/src/interaction/AngularHarmonic.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 5,154 | 38.05303 | 115 | py |
espressopp | espressopp-master/src/interaction/Interaction.py | # Copyright (C) 2012-2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008-2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# 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... | 3,721 | 32.232143 | 130 | py |
espressopp | espressopp-master/src/interaction/ConstrainRG.py | # Copyright (C) 2017
# Max Planck Institute for Polymer Research
#
# 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 Licens... | 3,936 | 35.119266 | 134 | py |
espressopp | espressopp-master/src/interaction/DihedralRB.py | # Copyright (C) 2015, 2016
# Jakub Krajniak (jkrajniak at gmail.com)
#
# 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 Licens... | 5,883 | 33.816568 | 110 | py |
espressopp | espressopp-master/src/interaction/Tabulated.py | # Copyright (C) 2017,2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2016
# Jakub Krajniak (jkrajniak at gmail.com)
# Copyright (C) 2012,2013,2014,2015
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & F... | 44,792 | 43.305638 | 561 | py |
espressopp | espressopp-master/src/interaction/LennardJones93Wall.py | # Copyright (C) 2014
# Pierre de Buyl
# Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it ... | 4,552 | 32.977612 | 112 | py |
espressopp | espressopp-master/src/interaction/ReactionFieldGeneralizedTI.py | # Copyright (C) 2012,2013,2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms... | 11,247 | 50.834101 | 551 | py |
espressopp | espressopp-master/src/interaction/DihedralHarmonic.py | # Copyright (C) 2012,2013,2015(H),2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the t... | 5,374 | 34.130719 | 153 | py |
espressopp | espressopp-master/src/interaction/DihedralHarmonicCos.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 3,547 | 34.838384 | 118 | py |
espressopp | espressopp-master/src/interaction/FENECapped.py | # Copyright (C) 2012,2013, 2019
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the term... | 5,507 | 38.342857 | 119 | py |
espressopp | espressopp-master/src/interaction/SoftCosine.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 6,458 | 36.12069 | 112 | py |
espressopp | espressopp-master/src/interaction/PotentialVSpherePair.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 3,937 | 32.948276 | 116 | py |
espressopp | espressopp-master/src/interaction/CoulombKSpaceP3M.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 5,157 | 31.037267 | 110 | py |
espressopp | espressopp-master/src/interaction/LennardJonesGromacs.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 9,198 | 39.170306 | 356 | py |
espressopp | espressopp-master/src/interaction/ConstrainCOM.py | # Copyright (C) 2017, 2019
# Max Planck Institute for Polymer Research
#
# 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 ... | 4,237 | 35.852174 | 113 | py |
espressopp | espressopp-master/src/interaction/TabulatedSubEns.py | # Max Planck Institute for Polymer Research
#
# 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) ... | 11,917 | 37.076677 | 112 | py |
espressopp | espressopp-master/src/interaction/Quartic.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 4,275 | 32.40625 | 112 | py |
espressopp | espressopp-master/src/interaction/LennardJonesExpand.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 6,647 | 35.327869 | 112 | py |
espressopp | espressopp-master/src/interaction/VSpherePair.py | # Copyright (C) 2012,2013,2017
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms... | 4,571 | 35 | 112 | py |
espressopp | espressopp-master/src/interaction/Zero.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 9,801 | 34.258993 | 112 | py |
espressopp | espressopp-master/src/interaction/CoulombRSpace.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 6,144 | 31.005208 | 115 | py |
espressopp | espressopp-master/src/interaction/AngularPotential.py | # Copyright (C) 2012,2013,2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of ... | 2,643 | 36.771429 | 112 | py |
espressopp | espressopp-master/src/interaction/TersoffTripleTerm.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 7,164 | 37.111702 | 181 | py |
espressopp | espressopp-master/src/interaction/FENE.py | # Copyright (C) 2012-2016, 2019
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the term... | 6,071 | 41.461538 | 127 | py |
espressopp | espressopp-master/src/interaction/MirrorLennardJones.py | # Copyright (C) 2014
# Pierre de Buyl
# Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute... | 4,683 | 35.030769 | 112 | py |
espressopp | espressopp-master/src/interaction/ReactionFieldGeneralized.py | # Copyright (C) 2012-2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008-2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# 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... | 18,937 | 46.463659 | 159 | py |
espressopp | espressopp-master/src/interaction/__init__.py | # Copyright (C) 2012,2013,2016,2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the term... | 4,042 | 42.945652 | 72 | py |
espressopp | espressopp-master/src/interaction/Cosine.py | # Copyright (C) 2012,2013,2016,2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the ... | 3,263 | 34.096774 | 112 | py |
espressopp | espressopp-master/src/interaction/TabulatedDihedral.py | # Copyright (C) 2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2016
# Jakub Krajniak (jkrajniak at gmail.com)
# Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
... | 6,508 | 39.937107 | 129 | py |
espressopp | espressopp-master/src/interaction/HarmonicTrap.py | # Copyright (C) 2014
# Pierre de Buyl
# Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it ... | 2,990 | 31.51087 | 112 | py |
espressopp | espressopp-master/src/interaction/LennardJonesSoftcoreTI.py | # Copyright (C) 2012,2013,2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms... | 12,237 | 49.155738 | 536 | py |
espressopp | espressopp-master/src/interaction/VSphereSelf.py | # Copyright (C) 2012,2013, 2017
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the term... | 4,028 | 34.034783 | 112 | py |
espressopp | espressopp-master/src/interaction/LennardJonesCapped.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 12,810 | 35.919308 | 114 | py |
espressopp | espressopp-master/src/storage/DomainDecompositionNonBlocking.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 2,741 | 36.054054 | 112 | py |
espressopp | espressopp-master/src/storage/DomainDecompositionAdress.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
# Copyright (C) 2019
# Max Planck Computing and Data Facility
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free softwa... | 4,205 | 40.643564 | 152 | py |
espressopp | espressopp-master/src/storage/DomainDecomposition.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
# Copyright (C) 2019
# Max Planck Computing and Data Facility
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free softwa... | 4,254 | 37.681818 | 152 | py |
espressopp | espressopp-master/src/storage/__init__.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of t... | 1,161 | 39.068966 | 73 | py |
espressopp | espressopp-master/src/storage/Storage.py | # Copyright (C) 2012,2013,2014,2015,2016,2017,2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it... | 19,187 | 37.147117 | 286 | py |
espressopp | espressopp-master/src/analysis/Observable.py | # Copyright (C) 2012,2013,2017
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of ... | 1,939 | 32.448276 | 72 | py |
espressopp | espressopp-master/src/analysis/PressureTensorLayer.py | # Copyright (C) 2012,2013,2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of ... | 3,545 | 34.818182 | 105 | py |
espressopp | espressopp-master/src/analysis/RDFatomistic.py | # Copyright (C) 2012,2013,2014,2015,2016,2017,2018
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it... | 8,199 | 65.666667 | 1,560 | py |
espressopp | espressopp-master/src/analysis/AllParticlePos.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of the G... | 1,433 | 30.866667 | 72 | py |
espressopp | espressopp-master/src/analysis/CMVelocity.py | # Copyright (C) 2014 Pierre de Buyl
# Copyright (C) 2012,2013,2017
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it an... | 2,977 | 32.460674 | 105 | py |
espressopp | espressopp-master/src/analysis/NPart.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of the G... | 1,601 | 30.411765 | 105 | py |
espressopp | espressopp-master/src/analysis/CenterOfMass.py | # Copyright (C) 2012,2013
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of the G... | 1,672 | 31.803922 | 109 | py |
espressopp | espressopp-master/src/analysis/SubregionTracking.py | # Copyright (C) 2017,2018
# Max Planck Institute for Polymer Research
#
# 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 Licen... | 4,220 | 51.7625 | 403 | py |
espressopp | espressopp-master/src/analysis/PressureTensor.py | # Copyright (C) 2012,2013,2016
# Max Planck Institute for Polymer Research
# Copyright (C) 2008,2009,2010,2011
# Max-Planck-Institute for Polymer Research & Fraunhofer SCAI
#
# This file is part of ESPResSo++.
#
# ESPResSo++ is free software: you can redistribute it and/or modify
# it under the terms of ... | 3,337 | 34.510638 | 105 | py |
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