src/utils/definitions.F90

!!
!! Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
!!
!! The University of Notre Dame grants you ("Licensee") a
!! non-exclusive, royalty free, license to use, modify and
!! redistribute this software in source and binary code form, provided
!! that the following conditions are met:
!!
!! 1. Redistributions of source code must retain the above copyright
!!    notice, this list of conditions and the following disclaimer.
!!
!! 2. Redistributions in binary form must reproduce the above copyright
!!    notice, this list of conditions and the following disclaimer in the
!!    documentation and/or other materials provided with the
!!    distribution.
!!
!! This software is provided "AS IS," without a warranty of any
!! kind. All express or implied conditions, representations and
!! warranties, including any implied warranty of merchantability,
!! fitness for a particular purpose or non-infringement, are hereby
!! excluded.  The University of Notre Dame and its licensors shall not
!! be liable for any damages suffered by licensee as a result of
!! using, modifying or distributing the software or its
!! derivatives. In no event will the University of Notre Dame or its
!! licensors be liable for any lost revenue, profit or data, or for
!! direct, indirect, special, consequential, incidental or punitive
!! damages, however caused and regardless of the theory of liability,
!! arising out of the use of or inability to use software, even if the
!! University of Notre Dame has been advised of the possibility of
!! such damages.
!!
!! SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
!! research, please cite the appropriate papers when you publish your
!! work.  Good starting points are:
!!                                                                      
!! [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
!! [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
!! [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
!! [4]  Vardeman & Gezelter, in progress (2009).
!!

!! Machine and compiler dependent definitions
!! Charles F. Vardeman II 2/26/02
!! PUBLIC VARIABLES
!! DEFAULT_INPUT    default standard input
!! DEFAULT_OUTPUT   default standard output
!! DEFAULT_ERROR    default standard error
!! SP               single precision type
!! DP               double precision type
!! MAX_UNITS        system dependend maximum number of open units

module definitions
  IMPLICIT NONE
  PUBLIC

  !! Machine dependent input and output (fortran 2000 will fix this standard)
  INTEGER, PARAMETER :: DEFAULT_INPUT  = 5
  INTEGER, PARAMETER :: DEFAULT_OUTPUT = 6
  INTEGER, PARAMETER :: DEFAULT_ERROR  = 0

  !! Various precision parameters

  INTEGER, PARAMETER :: SP = selected_real_kind(4)
#ifdef SINGLE_PRECISION
  INTEGER, PARAMETER :: DP = selected_real_kind(4)
#else
  INTEGER, PARAMETER :: DP = selected_real_kind(8)
#endif

  !! Maximum number of fortran streams...
  INTEGER, PARAMETER :: MAX_UNITS = 100

  !! number of dimensions in simulation
  INTEGER, PARAMETER :: ndim = 3
  !! Default Size parameter of nlists
  INTEGER, PARAMETER :: nlistPrefactor = 80

end module definitions
Revision:	1465
Committed:	Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv
File size:	3213 byte(s)
Log Message:	Creating busticated version of OpenMD
#	User	Rev	Content
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	gezelter	1390	!! 1. Redistributions of source code must retain the above copyright
10	gezelter	246	!! notice, this list of conditions and the following disclaimer.
11			!!
12	gezelter	1390	!! 2. Redistributions in binary form must reproduce the above copyright
13	gezelter	246	!! notice, this list of conditions and the following disclaimer in the
14			!! documentation and/or other materials provided with the
15			!! distribution.
16			!!
17			!! This software is provided "AS IS," without a warranty of any
18			!! kind. All express or implied conditions, representations and
19			!! warranties, including any implied warranty of merchantability,
20			!! fitness for a particular purpose or non-infringement, are hereby
21			!! excluded. The University of Notre Dame and its licensors shall not
22			!! be liable for any damages suffered by licensee as a result of
23			!! using, modifying or distributing the software or its
24			!! derivatives. In no event will the University of Notre Dame or its
25			!! licensors be liable for any lost revenue, profit or data, or for
26			!! direct, indirect, special, consequential, incidental or punitive
27			!! damages, however caused and regardless of the theory of liability,
28			!! arising out of the use of or inability to use software, even if the
29			!! University of Notre Dame has been advised of the possibility of
30			!! such damages.
31			!!
32	gezelter	1390	!! SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
33			!! research, please cite the appropriate papers when you publish your
34			!! work. Good starting points are:
35			!!
36			!! [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37			!! [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38			!! [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39			!! [4] Vardeman & Gezelter, in progress (2009).
40			!!
41	gezelter	246
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	gezelter	962	#ifdef SINGLE_PRECISION
65			INTEGER, PARAMETER :: DP = selected_real_kind(4)
66			#else
67	gezelter	119	INTEGER, PARAMETER :: DP = selected_real_kind(8)
68	gezelter	962	#endif
69	gezelter	119
70	gezelter	507	!! Maximum number of fortran streams...
71	gezelter	119	INTEGER, PARAMETER :: MAX_UNITS = 100
72
73	gezelter	507	!! number of dimensions in simulation
74	gezelter	119	INTEGER, PARAMETER :: ndim = 3
75	gezelter	507	!! Default Size parameter of nlists
76	gezelter	119	INTEGER, PARAMETER :: nlistPrefactor = 80
77
78			end module definitions