| 1 | !! | 
| 2 | !! Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 | !! | 
| 4 | !! The University of Notre Dame grants you ("Licensee") a | 
| 5 | !! non-exclusive, royalty free, license to use, modify and | 
| 6 | !! redistribute this software in source and binary code form, provided | 
| 7 | !! that the following conditions are met: | 
| 8 | !! | 
| 9 | !! 1. Acknowledgement of the program authors must be made in any | 
| 10 | !!    publication of scientific results based in part on use of the | 
| 11 | !!    program.  An acceptable form of acknowledgement is citation of | 
| 12 | !!    the article in which the program was described (Matthew | 
| 13 | !!    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher | 
| 14 | !!    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented | 
| 15 | !!    Parallel Simulation Engine for Molecular Dynamics," | 
| 16 | !!    J. Comput. Chem. 26, pp. 252-271 (2005)) | 
| 17 | !! | 
| 18 | !! 2. Redistributions of source code must retain the above copyright | 
| 19 | !!    notice, this list of conditions and the following disclaimer. | 
| 20 | !! | 
| 21 | !! 3. Redistributions in binary form must reproduce the above copyright | 
| 22 | !!    notice, this list of conditions and the following disclaimer in the | 
| 23 | !!    documentation and/or other materials provided with the | 
| 24 | !!    distribution. | 
| 25 | !! | 
| 26 | !! This software is provided "AS IS," without a warranty of any | 
| 27 | !! kind. All express or implied conditions, representations and | 
| 28 | !! warranties, including any implied warranty of merchantability, | 
| 29 | !! fitness for a particular purpose or non-infringement, are hereby | 
| 30 | !! excluded.  The University of Notre Dame and its licensors shall not | 
| 31 | !! be liable for any damages suffered by licensee as a result of | 
| 32 | !! using, modifying or distributing the software or its | 
| 33 | !! derivatives. In no event will the University of Notre Dame or its | 
| 34 | !! licensors be liable for any lost revenue, profit or data, or for | 
| 35 | !! direct, indirect, special, consequential, incidental or punitive | 
| 36 | !! damages, however caused and regardless of the theory of liability, | 
| 37 | !! arising out of the use of or inability to use software, even if the | 
| 38 | !! University of Notre Dame has been advised of the possibility of | 
| 39 | !! such damages. | 
| 40 | !! | 
| 41 |  | 
| 42 | !! Machine and compiler dependent definitions | 
| 43 | !! Charles F. Vardeman II 2/26/02 | 
| 44 | !! PUBLIC VARIABLES | 
| 45 | !! DEFAULT_INPUT    default standard input | 
| 46 | !! DEFAULT_OUTPUT   default standard output | 
| 47 | !! DEFAULT_ERROR    default standard error | 
| 48 | !! SP               single precision type | 
| 49 | !! DP               double precision type | 
| 50 | !! MAX_UNITS        system dependend maximum number of open units | 
| 51 |  | 
| 52 | module definitions | 
| 53 | IMPLICIT NONE | 
| 54 | PUBLIC | 
| 55 |  | 
| 56 | !! Machine dependent input and output (fortran 2000 will fix this standard) | 
| 57 | INTEGER, PARAMETER :: DEFAULT_INPUT  = 5 | 
| 58 | INTEGER, PARAMETER :: DEFAULT_OUTPUT = 6 | 
| 59 | INTEGER, PARAMETER :: DEFAULT_ERROR  = 0 | 
| 60 |  | 
| 61 | !! Various precision parameters | 
| 62 |  | 
| 63 | INTEGER, PARAMETER :: SP = selected_real_kind(4) | 
| 64 | INTEGER, PARAMETER :: DP = selected_real_kind(8) | 
| 65 |  | 
| 66 |  | 
| 67 | !! Maximum number of fortran streams... | 
| 68 | INTEGER, PARAMETER :: MAX_UNITS = 100 | 
| 69 |  | 
| 70 | !! number of dimensions in simulation | 
| 71 | INTEGER, PARAMETER :: ndim = 3 | 
| 72 | !! Default Size parameter of nlists | 
| 73 | INTEGER, PARAMETER :: nlistPrefactor = 80 | 
| 74 |  | 
| 75 | end module definitions |