1 |
gezelter |
246 |
!! |
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 |
gezelter |
119 |
!! 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 |
gezelter |
507 |
!! Machine dependent input and output (fortran 2000 will fix this standard) |
57 |
gezelter |
119 |
INTEGER, PARAMETER :: DEFAULT_INPUT = 5 |
58 |
|
|
INTEGER, PARAMETER :: DEFAULT_OUTPUT = 6 |
59 |
|
|
INTEGER, PARAMETER :: DEFAULT_ERROR = 0 |
60 |
|
|
|
61 |
gezelter |
507 |
!! Various precision parameters |
62 |
|
|
|
63 |
gezelter |
119 |
INTEGER, PARAMETER :: SP = selected_real_kind(4) |
64 |
|
|
INTEGER, PARAMETER :: DP = selected_real_kind(8) |
65 |
|
|
|
66 |
|
|
|
67 |
gezelter |
507 |
!! Maximum number of fortran streams... |
68 |
gezelter |
119 |
INTEGER, PARAMETER :: MAX_UNITS = 100 |
69 |
|
|
|
70 |
gezelter |
507 |
!! number of dimensions in simulation |
71 |
gezelter |
119 |
INTEGER, PARAMETER :: ndim = 3 |
72 |
gezelter |
507 |
!! Default Size parameter of nlists |
73 |
gezelter |
119 |
INTEGER, PARAMETER :: nlistPrefactor = 80 |
74 |
|
|
|
75 |
|
|
end module definitions |