Commit 0b4ce03d authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

License header changes; force duplication factor to 4; fixed potential problem...

License header changes; force duplication factor to 4; fixed potential problem w/ Shake -- if no constraints, pgm crashes
parent 3ec08ba6
...@@ -6,27 +6,22 @@ ...@@ -6,27 +6,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include <sstream> #include <sstream>
......
...@@ -9,27 +9,22 @@ ...@@ -9,27 +9,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include <vector> #include <vector>
......
...@@ -6,29 +6,25 @@ ...@@ -6,29 +6,25 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include <math.h> #include <math.h>
#include <sstream> #include <sstream>
#include "BrookBonded.h" #include "BrookBonded.h"
......
...@@ -9,27 +9,22 @@ ...@@ -9,27 +9,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include <vector> #include <vector>
......
...@@ -6,27 +6,22 @@ ...@@ -6,27 +6,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include <cmath> #include <cmath>
......
...@@ -9,27 +9,22 @@ ...@@ -9,27 +9,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/kernels.h" #include "openmm/kernels.h"
......
...@@ -6,27 +6,22 @@ ...@@ -6,27 +6,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/OpenMMException.h" #include "openmm/OpenMMException.h"
......
...@@ -9,27 +9,22 @@ ...@@ -9,27 +9,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/kernels.h" #include "openmm/kernels.h"
......
...@@ -6,27 +6,22 @@ ...@@ -6,27 +6,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/OpenMMException.h" #include "openmm/OpenMMException.h"
......
...@@ -9,27 +9,22 @@ ...@@ -9,27 +9,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/kernels.h" #include "openmm/kernels.h"
......
...@@ -6,27 +6,22 @@ ...@@ -6,27 +6,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include <sstream> #include <sstream>
......
...@@ -9,27 +9,22 @@ ...@@ -9,27 +9,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright ( c ) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files ( the "Software" ), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/kernels.h" #include "openmm/kernels.h"
......
...@@ -6,27 +6,22 @@ ...@@ -6,27 +6,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008-2009 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include <cmath> #include <cmath>
...@@ -134,12 +129,15 @@ void BrookCalcNonbondedForceKernel::initialize( const System& system, const Nonb ...@@ -134,12 +129,15 @@ void BrookCalcNonbondedForceKernel::initialize( const System& system, const Nonb
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
static const std::string methodName = "BrookCalcNonbondedForceKernel::initialize"; static const std::string methodName = "BrookCalcNonbondedForceKernel::initialize";
static const int PrintOn = 0;
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
FILE* log = getLog(); FILE* log = getLog();
if( log ){ if( PrintOn && log ){
(void) fprintf( log, "%s begin\n", methodName.c_str() ); fflush( log ); (void) fprintf( log, "%s begin\n", methodName.c_str() ); fflush( log );
} else {
log = NULL;
} }
_numberOfParticles = force.getNumParticles(); _numberOfParticles = force.getNumParticles();
......
...@@ -9,27 +9,22 @@ ...@@ -9,27 +9,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/kernels.h" #include "openmm/kernels.h"
......
...@@ -6,27 +6,22 @@ ...@@ -6,27 +6,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/OpenMMException.h" #include "openmm/OpenMMException.h"
......
...@@ -9,27 +9,22 @@ ...@@ -9,27 +9,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/kernels.h" #include "openmm/kernels.h"
......
...@@ -6,27 +6,22 @@ ...@@ -6,27 +6,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/OpenMMException.h" #include "openmm/OpenMMException.h"
......
...@@ -9,27 +9,22 @@ ...@@ -9,27 +9,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/kernels.h" #include "openmm/kernels.h"
......
...@@ -6,27 +6,22 @@ ...@@ -6,27 +6,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include <math.h> #include <math.h>
......
...@@ -9,27 +9,22 @@ ...@@ -9,27 +9,22 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for * * Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. * * Medical Research, grant U54 GM072970. See https://simtk.org. *
* * * *
* Portions copyright (c) 2008 Stanford University and the Authors. * * Portions copyright (c) 2009 Stanford University and the Authors. *
* Authors: Peter Eastman, Mark Friedrichs * * Authors: Mark Friedrichs, Mike Houston *
* Contributors: * * Contributors: *
* * * *
* Permission is hereby granted, free of charge, to any person obtaining a * * This program is free software: you can redistribute it and/or modify *
* copy of this software and associated documentation files (the "Software"), * * it under the terms of the GNU Lesser General Public License as published *
* to deal in the Software without restriction, including without limitation * * by the Free Software Foundation, either version 3 of the License, or *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, * * (at your option) any later version. *
* 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 * * This program is distributed in the hope that it will be useful, *
* all copies or substantial portions of the Software. * * 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. *
* * * *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * You should have received a copy of the GNU Lesser General Public License *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * along with this program. If not, see <http://www.gnu.org/licenses/>. *
* 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. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include <vector> #include <vector>
......
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