2 Highly Optimized Object-oriented Many-particle Dynamics -- Blue Edition
3 (HOOMD-blue) Open Source Software License Copyright 2009-2014 The Regents of
4 the University of Michigan All rights reserved.
6 HOOMD-blue may contain modifications ("Contributions") provided, and to which
7 copyright is held, by various Contributors who have granted The Regents of the
8 University of Michigan the right to modify and/or distribute such Contributions.
10 You may redistribute, use, and create derivate works of HOOMD-blue, in source
11 and binary forms, provided you abide by the following conditions:
13 * Redistributions of source code must retain the above copyright notice, this
14 list of conditions, and the following disclaimer both in the code and
15 prominently in any materials provided with the distribution.
17 * Redistributions in binary form must reproduce the above copyright notice, this
18 list of conditions, and the following disclaimer in the documentation and/or
19 other materials provided with the distribution.
21 * All publications and presentations based on HOOMD-blue, including any reports
22 or published results obtained, in whole or in part, with HOOMD-blue, will
23 acknowledge its use according to the terms posted at the time of submission on:
24 http://codeblue.umich.edu/hoomd-blue/citations.html
26 * Any electronic documents citing HOOMD-Blue will link to the HOOMD-Blue website:
27 http://codeblue.umich.edu/hoomd-blue/
29 * Apart from the above required attributions, neither the name of the copyright
30 holder nor the names of HOOMD-blue's contributors may be used to endorse or
31 promote products derived from this software without specific prior written
36 THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDER AND CONTRIBUTORS ``AS IS'' AND
37 ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
38 WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE, AND/OR ANY
39 WARRANTIES THAT THIS SOFTWARE IS FREE OF INFRINGEMENT ARE DISCLAIMED.
41 IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT,
42 INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING,
43 BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
44 DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
45 LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE
46 OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
47 ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
52 \page page_credits Credits
55 <h1>HOOMD-blue Developers:</h1>
57 Joshua Anderson, University of Michigan - <b>Lead developer</b>
59 Alex Travesset, Iowa State University and Ames Laboratory
61 Rastko Sknepnek, Northwestern
65 Carolyn Phillips, University of Michigan
71 - pair.dpd_conservative
75 - Initial testing and debugging of HOOMD on Mac OS X systems
77 Aaron Keys, University of Michigan
78 - update.enforce2d and other updates enabling to 2D simulations
79 - hoomd c++ compilation helper script
80 - binary restart files
81 - integrate.mode_minimize_fire
83 Axel Kohlmeyer, David LeBard, Ben Levine, from the ICMS group at Temple University
89 - numerous other small contributions enhancing the usability of HOOMD
91 Igor Morozov, Andrey Kazennov, Roman Bystryi, Joint Institute for High Temperatures of RAS (Moscow, Russia)
94 Philipp Mertmann, Ruhr University Bochum
98 Stephen Barr, Princeton University
102 Greg van Anders, Benjamin Schultz, University of Michigan
103 - refactoring of ForceCompute
105 Eric Irrgang, University of Michigan
106 - RPM packaging and daily builds
108 Ross Smith, University of Michigan
109 - Deb packaging and daily builds
111 Peter Palm, Jens Glaser, Leipzig University
112 - group functionality in force.constant
114 - conversion of bond forces to template evaluator implementation
116 Jens Glaser, University of Michigan
117 - integrate.npt anisotropic integration (mkt)
118 - pair.force_shifted_lj
119 - Dynamic addition/removal of bonds
120 - Computation of virial and pressure tensor
122 - Framework for external potentials
124 - ParticleData refactoring
126 - Optimization of MPI communication for strong scaling
127 - Neighborlist and pair force performance improvements (multiple threads per particle)
128 - Enable cell based neighbor list on small boxes
129 - Testing of angle.table and dihedral.table
132 Pavani Medapuram, University of Minnesota
133 - Framework for external potentials
136 Brandon D. Smith, University of Michigan
137 - full double precision compile time option
138 - integrate.berendsen
141 Trung Dac Nguyen, University of Michigan
142 - integreate.nve_rigid
143 - integrate.bdnvt_rigid
144 - integrate.nvt_rigid
145 - integrate.npt_rigid
146 - integrate.mode_minimize_rigid_fire
147 - associated rigid body data structures and helper functions
148 - integrate.nph_rigid
150 Ryan Marson, University of Michigan
151 - unwrap_rigid option to dump.dcd
153 David Tarjan, University of Virginia
154 - performance tweaks to the neighbor list and pair force code
159 <b>HOOMD:</b> HOOMD-blue is a continuation of the HOOMD project (http://www.ameslab.gov/hoomd/). The code from the original project is used under
160 the following license:<br>
163 Highly Optimized Object-Oriented Molecular Dynamics (HOOMD) Open
164 Source Software License
165 Copyright (c) 2008 Ames Laboratory Iowa State University
168 Redistribution and use of HOOMD, in source and binary forms, with or
169 without modification, are permitted, provided that the following
172 * Redistributions of source code must retain the above copyright notice,
173 this list of conditions and the following disclaimer.
175 * Redistributions in binary form must reproduce the above copyright
176 notice, this list of conditions and the following disclaimer in the
177 documentation and/or other materials provided with the distribution.
179 * Neither the name of the copyright holder nor the names HOOMD's
180 contributors may be used to endorse or promote products derived from this
181 software without specific prior written permission.
185 THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDER AND
186 CONTRIBUTORS ``AS IS'' AND ANY EXPRESS OR IMPLIED WARRANTIES,
187 INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY
188 AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED.
190 IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
191 FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
192 CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF
193 SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS
194 INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN
195 CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE)
196 ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF
197 THE POSSIBILITY OF SUCH DAMAGE.
201 <b>Sockets code</b> from VMD is used for the IMDInterface to VMD (http://www.ks.uiuc.edu/Research/vmd/) - Used under the UIUC Open Source License.<br>
202 <b>Molfile plugin code</b> from VMD is used for generic file format reading and writing - Used under the UIUC Open Source License<br>
204 University of Illinois Open Source License
205 Copyright 2006 Theoretical and Computational Biophysics Group,
208 Developed by: Theoretical and Computational Biophysics Group
209 University of Illinois at Urbana-Champaign
210 http://www.ks.uiuc.edu/
212 Permission is hereby granted, free of charge, to any person obtaining a copy of
213 this software and associated documentation files (the Software), to deal with
214 the Software without restriction, including without limitation the rights to
215 use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies
216 of the Software, and to permit persons to whom the Software is furnished to
217 do so, subject to the following conditions:
219 Redistributions of source code must retain the above copyright notice,
220 this list of conditions and the following disclaimers.
222 Redistributions in binary form must reproduce the above copyright notice,
223 this list of conditions and the following disclaimers in the documentation
224 and/or other materials provided with the distribution.
226 Neither the names of Theoretical and Computational Biophysics Group,
227 University of Illinois at Urbana-Champaign, nor the names of its contributors
228 may be used to endorse or promote products derived from this Software without
229 specific prior written permission.
231 THE SOFTWARE IS PROVIDED AS IS, WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
232 IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
233 FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL
234 THE CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR
235 OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE,
236 ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR
237 OTHER DEALINGS WITH THE SOFTWARE.
240 <b>XML parsing</b> is performed with XML.c from http://www.applied-mathematics.net/tools/xmlParser.html - Used under the BSD License<br>
242 Copyright (c) 2002, Frank Vanden Berghen<br>
243 All rights reserved.<br>
244 Redistribution and use in source and binary forms, with or without
245 modification, are permitted provided that the following conditions are met:
247 - Redistributions of source code must retain the above copyright
248 notice, this list of conditions and the following disclaimer.
249 - Redistributions in binary form must reproduce the above copyright
250 notice, this list of conditions and the following disclaimer in the
251 documentation and/or other materials provided with the distribution.
252 - Neither the name of the Frank Vanden Berghen nor the
253 names of its contributors may be used to endorse or promote products
254 derived from this software without specific prior written permission.
256 THIS SOFTWARE IS PROVIDED BY THE REGENTS AND CONTRIBUTORS ``AS IS'' AND ANY
257 EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
258 WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
259 DISCLAIMED. IN NO EVENT SHALL THE REGENTS AND CONTRIBUTORS BE LIABLE FOR ANY
260 DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
261 (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
262 LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
263 ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
264 INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
265 SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
267 <b>FindCUDA.cmake</b> (http://www.sci.utah.edu/~abe/FindCuda.html) has been modified slightly and is used as part of the build system - Used under the MIT License<br>
271 Copyright (c) 2008-2009
274 Copyright (c) 2007-2009
275 Scientific Computing and Imaging Institute, University of Utah
277 License for the specific language governing rights and limitations under
278 Permission is hereby granted, free of charge, to any person obtaining a
279 copy of this software and associated documentation files (the "Software"),
280 to deal in the Software without restriction, including without limitation
281 the rights to use, copy, modify, merge, publish, distribute, sublicense,
282 and/or sell copies of the Software, and to permit persons to whom the
283 Software is furnished to do so, subject to the following conditions:
285 The above copyright notice and this permission notice shall be included
286 in all copies or substantial portions of the Software.
289 <b>Saru</b> is used for random number generation - Used under the following license<br>
290 Copyright (c) 2008 Steve Worley < m a t h g e e k@(my last name).com >
292 Permission to use, copy, modify, and distribute this software for any
293 purpose with or without fee is hereby granted, provided that the above
294 copyright notice and this permission notice appear in all copies.
296 THE SOFTWARE IS PROVIDED "AS IS" AND THE AUTHOR DISCLAIMS ALL WARRANTIES
297 WITH REGARD TO THIS SOFTWARE INCLUDING ALL IMPLIED WARRANTIES OF
298 MERCHANTABILITY AND FITNESS. IN NO EVENT SHALL THE AUTHOR BE LIABLE FOR
299 ANY SPECIAL, DIRECT, INDIRECT, OR CONSEQUENTIAL DAMAGES OR ANY DAMAGES
300 WHATSOEVER RESULTING FROM LOSS OF USE, DATA OR PROFITS, WHETHER IN AN
301 ACTION OF CONTRACT, NEGLIGENCE OR OTHER TORTIOUS ACTION, ARISING OUT OF
302 OR IN CONNECTION WITH THE USE OR PERFORMANCE OF THIS SOFTWARE.
304 Some <b>CUDA API headers</b> are included in the HOOMD-blue source code for code compatibility in CPU only biulds - Used under the following license<br>
306 Copyright 1993-2008 NVIDIA Corporation. All rights reserved.
310 This source code is subject to NVIDIA ownership rights under U.S. and
311 international Copyright laws. Users and possessors of this source code
312 are hereby granted a nonexclusive, royalty-free license to use this code
313 in individual and commercial software.
315 NVIDIA MAKES NO REPRESENTATION ABOUT THE SUITABILITY OF THIS SOURCE
316 CODE FOR ANY PURPOSE. IT IS PROVIDED "AS IS" WITHOUT EXPRESS OR
317 IMPLIED WARRANTY OF ANY KIND. NVIDIA DISCLAIMS ALL WARRANTIES WITH
318 REGARD TO THIS SOURCE CODE, INCLUDING ALL IMPLIED WARRANTIES OF
319 MERCHANTABILITY, NONINFRINGEMENT, AND FITNESS FOR A PARTICULAR PURPOSE.
320 IN NO EVENT SHALL NVIDIA BE LIABLE FOR ANY SPECIAL, INDIRECT, INCIDENTAL,
321 OR CONSEQUENTIAL DAMAGES, OR ANY DAMAGES WHATSOEVER RESULTING FROM LOSS
322 OF USE, DATA OR PROFITS, WHETHER IN AN ACTION OF CONTRACT, NEGLIGENCE
323 OR OTHER TORTIOUS ACTION, ARISING OUT OF OR IN CONNECTION WITH THE USE
324 OR PERFORMANCE OF THIS SOURCE CODE.
326 U.S. Government End Users. This source code is a "commercial item" as
327 that term is defined at 48 C.F.R. 2.101 (OCT 1995), consisting of
328 "commercial computer software" and "commercial computer software
329 documentation" as such terms are used in 48 C.F.R. 12.212 (SEPT 1995)
330 and is provided to the U.S. Government only as a commercial end item.
331 Consistent with 48 C.F.R.12.212 and 48 C.F.R. 227.7202-1 through
332 227.7202-4 (JUNE 1995), all U.S. Government End Users acquire the
333 source code with only those rights set forth herein.
335 Any use of this source code in individual and commercial software must
336 include, in the user documentation and internal comments to the code,
337 the above Disclaimer and U.S. Government End Users Notice.
341 FFTs on the CPU reference implementation of PPPM are performed using <b>kissFFT</b> from http://sourceforge.net/projects/kissfft/,
342 used under the following license
345 Copyright (c) 2003-2010 Mark Borgerding
349 Redistribution and use in source and binary forms, with or without modification,
350 are permitted provided that the following conditions are met:
352 * Redistributions of source code must retain the above copyright notice, this
353 list of conditions and the following disclaimer.
355 * Redistributions in binary form must reproduce the above copyright notice, this
356 list of conditions and the following disclaimer in the documentation and/or
357 other materials provided with the distribution.
359 * Neither the author nor the names of any contributors may be used to endorse or
360 promote products derived from this software without specific prior written
363 THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
364 ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
365 WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
366 DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
367 ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
368 (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
369 LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON
370 ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
371 (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
372 SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
376 ModernGPU source code is embedded in HOOMD's package and is used for various tasks: http://nvlabs.github.io/moderngpu/
379 Copyright (c) 2013, NVIDIA CORPORATION. All rights reserved.
380 Redistribution and use in source and binary forms, with or without
381 modification, are permitted provided that the following conditions are met:
383 * Redistributions of source code must retain the above copyright
384 notice, this list of conditions and the following disclaimer.
385 * Redistributions in binary form must reproduce the above copyright
386 notice, this list of conditions and the following disclaimer in the
387 documentation and/or other materials provided with the distribution.
388 * Neither the name of the NVIDIA CORPORATION nor the
389 names of its contributors may be used to endorse or promote products
390 derived from this software without specific prior written permission.
392 THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
393 AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
394 IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
395 ARE DISCLAIMED. IN NO EVENT SHALL NVIDIA CORPORATION BE LIABLE FOR ANY
396 DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
397 (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
398 LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
399 ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
400 (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
401 SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
407 HOOMD-blue links to the following libraries, possibly statically or dynamically depending on configuration options chosen at build time <br>
408 - \b boost - Used under the Boost Software License, Version 1.0 (http://www.boost.org/LICENSE_1_0.txt)<br>
409 - \b zlib - Used under the zlib license (http://www.zlib.net/zlib_license.html)<br>
410 - \b python - Used under the Python license (http://www.python.org/psf/license/)<br>
411 - \b cuFFT - Used under the same license as the NVIDIA CUDA toolkit<br>