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!! |
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!! Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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!! |
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!! The University of Notre Dame grants you ("Licensee") a |
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!! non-exclusive, royalty free, license to use, modify and |
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!! redistribute this software in source and binary code form, provided |
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!! that the following conditions are met: |
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!! |
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!! 1. Redistributions of source code must retain the above copyright |
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!! notice, this list of conditions and the following disclaimer. |
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!! |
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!! 2. Redistributions in binary form must reproduce the above copyright |
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!! notice, this list of conditions and the following disclaimer in the |
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!! documentation and/or other materials provided with the |
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!! distribution. |
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!! |
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!! This software is provided "AS IS," without a warranty of any |
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!! kind. All express or implied conditions, representations and |
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!! warranties, including any implied warranty of merchantability, |
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!! fitness for a particular purpose or non-infringement, are hereby |
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!! excluded. The University of Notre Dame and its licensors shall not |
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!! be liable for any damages suffered by licensee as a result of |
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!! using, modifying or distributing the software or its |
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!! derivatives. In no event will the University of Notre Dame or its |
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!! licensors be liable for any lost revenue, profit or data, or for |
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!! direct, indirect, special, consequential, incidental or punitive |
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!! damages, however caused and regardless of the theory of liability, |
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!! arising out of the use of or inability to use software, even if the |
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!! University of Notre Dame has been advised of the possibility of |
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!! such damages. |
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!! |
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!! SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
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!! research, please cite the appropriate papers when you publish your |
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!! work. Good starting points are: |
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!! |
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!! [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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!! [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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!! [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
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!! [4] Vardeman & Gezelter, in progress (2009). |
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!! |
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|
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!! Machine and compiler dependent definitions |
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!! Charles F. Vardeman II 2/26/02 |
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!! PUBLIC VARIABLES |
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!! DEFAULT_INPUT default standard input |
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!! DEFAULT_OUTPUT default standard output |
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!! DEFAULT_ERROR default standard error |
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!! SP single precision type |
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!! DP double precision type |
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!! MAX_UNITS system dependend maximum number of open units |
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|
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module definitions |
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IMPLICIT NONE |
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PUBLIC |
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|
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!! Machine dependent input and output (fortran 2000 will fix this standard) |
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INTEGER, PARAMETER :: DEFAULT_INPUT = 5 |
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INTEGER, PARAMETER :: DEFAULT_OUTPUT = 6 |
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INTEGER, PARAMETER :: DEFAULT_ERROR = 0 |
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|
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!! Various precision parameters |
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|
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INTEGER, PARAMETER :: SP = selected_real_kind(4) |
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#ifdef SINGLE_PRECISION |
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INTEGER, PARAMETER :: DP = selected_real_kind(4) |
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#else |
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INTEGER, PARAMETER :: DP = selected_real_kind(8) |
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#endif |
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|
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!! Maximum number of fortran streams... |
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INTEGER, PARAMETER :: MAX_UNITS = 100 |
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|
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!! number of dimensions in simulation |
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INTEGER, PARAMETER :: ndim = 3 |
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!! Default Size parameter of nlists |
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INTEGER, PARAMETER :: nlistPrefactor = 80 |
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|
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end module definitions |
