/* -------------------------------------------------------------------------- * * 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 kinvmap_gather (const float strwidth, ::brook::stream invmap, ::brook::stream forces, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather2 (const float strwidth, ::brook::stream invmap1, ::brook::stream invmap2, ::brook::stream forces, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather3 (const float strwidth, ::brook::stream invmap1, ::brook::stream invmap2, ::brook::stream invmap3, ::brook::stream forces, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather4 (const float strwidth, ::brook::stream invmap1, ::brook::stream invmap2, ::brook::stream invmap3, ::brook::stream invmap4, ::brook::stream forces, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather5 (const float strwidth, ::brook::stream invmap1, ::brook::stream invmap2, ::brook::stream invmap3, ::brook::stream invmap4, ::brook::stream invmap5, ::brook::stream forces, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather6 (const float strwidth, ::brook::stream invmap1, ::brook::stream invmap2, ::brook::stream invmap3, ::brook::stream invmap4, ::brook::stream invmap5, ::brook::stream invmap6, ::brook::stream forces, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather2_2 (const float strwidth, ::brook::stream invmap3_1, ::brook::stream invmap3_2, ::brook::stream forces3, ::brook::stream invmap4_1, ::brook::stream invmap4_2, ::brook::stream forces4, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather2_1 (const float strwidth, ::brook::stream invmap3_1, ::brook::stream invmap3_2, ::brook::stream forces3, ::brook::stream invmap4_1, ::brook::stream forces4, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather2_3 (const float strwidth, ::brook::stream invmap3_1, ::brook::stream invmap3_2, ::brook::stream forces3, ::brook::stream invmap4_1, ::brook::stream invmap4_2, ::brook::stream invmap4_3, ::brook::stream forces4, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather1_2 (const float strwidth, ::brook::stream invmap3_1, ::brook::stream forces3, ::brook::stream invmap4_1, ::brook::stream invmap4_2, ::brook::stream forces4, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather2_4 (const float strwidth, ::brook::stream invmap3_1, ::brook::stream invmap3_2, ::brook::stream forces3, ::brook::stream invmap4_1, ::brook::stream invmap4_2, ::brook::stream invmap4_3, ::brook::stream invmap4_4, ::brook::stream forces4, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather2_5 (const float strwidth, ::brook::stream invmap3_1, ::brook::stream invmap3_2, ::brook::stream forces3, ::brook::stream invmap4_1, ::brook::stream invmap4_2, ::brook::stream invmap4_3, ::brook::stream invmap4_4, ::brook::stream invmap4_5, ::brook::stream forces4, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather3_2 (const float strwidth, ::brook::stream invmap3_1, ::brook::stream invmap3_2, ::brook::stream invmap3_3, ::brook::stream forces3, ::brook::stream invmap4_1, ::brook::stream invmap4_2, ::brook::stream forces4, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather3_1 (const float strwidth, ::brook::stream invmap3_1, ::brook::stream invmap3_2, ::brook::stream invmap3_3, ::brook::stream forces3, ::brook::stream invmap4_1, ::brook::stream forces4, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather3_3 (const float strwidth, ::brook::stream invmap3_1, ::brook::stream invmap3_2, ::brook::stream invmap3_3, ::brook::stream forces3, ::brook::stream invmap4_1, ::brook::stream invmap4_2, ::brook::stream invmap4_3, ::brook::stream forces4, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather3_4 (const float strwidth, ::brook::stream invmap3_1, ::brook::stream invmap3_2, ::brook::stream invmap3_3, ::brook::stream forces3, ::brook::stream invmap4_1, ::brook::stream invmap4_2, ::brook::stream invmap4_3, ::brook::stream invmap4_4, ::brook::stream forces4, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather3_5 (const float strwidth, ::brook::stream invmap3_1, ::brook::stream invmap3_2, ::brook::stream invmap3_3, ::brook::stream forces3, ::brook::stream invmap5_1, ::brook::stream invmap5_2, ::brook::stream invmap5_3, ::brook::stream invmap5_4, ::brook::stream invmap5_5, ::brook::stream forces5, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather1_1 (const float strwidth, ::brook::stream invmap3_1, ::brook::stream forces3, ::brook::stream invmap5_1, ::brook::stream forces5, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather5_2 (const float strwidth, ::brook::stream invmap5_1, ::brook::stream invmap5_2, ::brook::stream invmap5_3, ::brook::stream invmap5_4, ::brook::stream invmap5_5, ::brook::stream forces5, ::brook::stream invmap2_1, ::brook::stream invmap2_2, ::brook::stream forces2, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather5_3 (const float strwidth, ::brook::stream invmap5_1, ::brook::stream invmap5_2, ::brook::stream invmap5_3, ::brook::stream invmap5_4, ::brook::stream invmap5_5, ::brook::stream forces5, ::brook::stream invmap2_1, ::brook::stream invmap2_2, ::brook::stream invmap2_3, ::brook::stream forces2, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather4_3 (const float strwidth, ::brook::stream invmap5_1, ::brook::stream invmap5_2, ::brook::stream invmap5_3, ::brook::stream invmap5_4, ::brook::stream forces5, ::brook::stream invmap2_1, ::brook::stream invmap2_2, ::brook::stream invmap2_3, ::brook::stream forces2, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather4_2 (const float strwidth, ::brook::stream invmap4_1, ::brook::stream invmap4_2, ::brook::stream invmap4_3, ::brook::stream invmap4_4, ::brook::stream forces4, ::brook::stream invmap2_1, ::brook::stream invmap2_2, ::brook::stream forces2, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather_merged (const float natoms, const float strwidth, const float istrwidth, const float fstrwidth, ::brook::stream nimap, ::brook::stream invmap, ::brook::stream fi, ::brook::stream fj, ::brook::stream fk, ::brook::stream fl, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather_merged9 (const float natoms, const float strwidth, ::brook::stream invmap0, ::brook::stream invmap1, ::brook::stream invmap2, ::brook::stream invmap3, ::brook::stream invmap4, ::brook::stream invmap5, ::brook::stream invmap6, ::brook::stream invmap7, ::brook::stream invmap8, ::brook::stream fi, ::brook::stream fj, ::brook::stream fk, ::brook::stream fl, ::brook::stream inforce, ::brook::stream outforce); void kinvmap_gather_merged5 (const float natoms, const float strwidth, ::brook::stream invmap0, ::brook::stream invmap1, ::brook::stream invmap2, ::brook::stream invmap3, ::brook::stream invmap4, ::brook::stream fi, ::brook::stream fj, ::brook::stream fk, ::brook::stream fl, ::brook::stream inforce, ::brook::stream outforce);