/* -------------------------------------------------------------------------- * * 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 kshakeh_fix1 ( const float maxIterations, const float strwidth, const float tolerance, ::brook::stream atoms, ::brook::stream posq, ::brook::stream posqp, ::brook::stream params, ::brook::stream cposq0, ::brook::stream cposq1, ::brook::stream cposq2, ::brook::stream cposq3); void kshakeh_update1_fix1 ( const float strwidth, ::brook::stream invmap, ::brook::stream posqp, ::brook::stream cposq0, ::brook::stream cposq1, ::brook::stream cposq2, ::brook::stream cposq3, ::brook::stream oposq); void kshakeh_update2_fix1 ( const float strwidth, ::brook::stream invmap, ::brook::stream posq, ::brook::stream posqp, ::brook::stream cposq0, ::brook::stream cposq1, ::brook::stream cposq2, ::brook::stream cposq3, ::brook::stream oposq);