/* -------------------------------------------------------------------------- * * OpenMM * * -------------------------------------------------------------------------- * * This is part of the OpenMM molecular simulation toolkit originating from * * Simbios, the NIH National Center for Physics-Based Simulation of * * Biological Structures at Stanford, funded under the NIH Roadmap for * * Medical Research, grant U54 GM072970. See https://simtk.org. * * * * Portions copyright (c) 2009 Stanford University and the Authors. * * Authors: Mark Friedrichs, Mike Houston * * Contributors: * * * * This program is free software: you can redistribute it and/or modify * * it under the terms of the GNU Lesser General Public License as published * * by the Free Software Foundation, either version 3 of the License, or * * (at your option) any later version. * * * * This program 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 Lesser General Public License for more details. * * * * You should have received a copy of the GNU Lesser General Public License * * along with this program. If not, see . * * -------------------------------------------------------------------------- */ void kupdate_md1( const float dtinv, ::brook::stream posq, ::brook::stream v, ::brook::stream f, ::brook::stream invmass, ::brook::stream posqnew ); void kupdate_md2( const float dtinv, ::brook::stream posqp, ::brook::stream posq, ::brook::stream vnew, ::brook::stream posqnew ); void kupdateMdNoShake( const float dtinv, ::brook::stream posq, ::brook::stream v, ::brook::stream f, ::brook::stream invmass, ::brook::stream outv, ::brook::stream posqp );