/* -------------------------------------------------------------------------- * * 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) 2008 Stanford University and the Authors. * * Authors: Peter Eastman, Mark Friedrichs, Chris Bruns * * Contributors: * * * * Permission is hereby granted, free of charge, to any person obtaining a * * copy of this software and associated documentation files (the "Software"), * * to deal in the Software without restriction, including without limitation * * the rights to use, copy, modify, merge, publish, distribute, sublicense, * * and/or sell copies of the Software, and to permit persons to whom the * * Software is furnished to do so, subject to the following conditions: * * * * The above copyright notice and this permission notice shall be included in * * all copies or substantial portions of the Software. * * * * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL * * THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, * * DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR * * OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE * * USE OR OTHER DEALINGS IN THE SOFTWARE. * * -------------------------------------------------------------------------- */ 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_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_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);