1!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
2! Copyright 2010.  Los Alamos National Security, LLC. This material was    !
3! produced under U.S. Government contract DE-AC52-06NA25396 for Los Alamos !
4! National Laboratory (LANL), which is operated by Los Alamos National     !
5! Security, LLC for the U.S. Department of Energy. The U.S. Government has !
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7! GOVERNMENT NOR LOS ALAMOS NATIONAL SECURITY, LLC MAKES ANY WARRANTY,     !
8! EXPRESS OR IMPLIED, OR ASSUMES ANY LIABILITY FOR THE USE OF THIS         !
9! SOFTWARE.  If software is modified to produce derivative works, such     !
10! modified software should be clearly marked, so as not to confuse it      !
11! with the version available from LANL.                                    !
12!                                                                          !
13! Additionally, this program is free software; you can redistribute it     !
14! and/or modify it under the terms of the GNU General Public License as    !
15! published by the Free Software Foundation; version 2.0 of the License.   !
16! Accordingly, this program is distributed in the hope that it will be     !
17! useful, but WITHOUT ANY WARRANTY; without even the implied warranty of   !
18! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General !
19! Public License for more details.                                         !
20!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
21
22MODULE VIRIALARRAY
23
24  USE MYPRECISION
25
26  IMPLICIT NONE
27
28  SAVE
29
30  !
31  ! We're going to put everthing into 1 array. The 6 elements are:
32  !
33  ! 1 = xx
34  ! 2 = yy
35  ! 3 = zz
36  ! 4 = xy
37  ! 5 = yz
38  ! 6 = zx
39  !
40
41  REAL(LATTEPREC) :: VIRIAL(6), VIRBOND(6), VIRCOUL(6), VIRPAIR(6)
42  REAL(LATTEPREC) :: VIRPUL(6), VIRSCOUL(6), VIRSSPIN(6), VIRSLCN(6)
43  REAL(LATTEPREC) :: VIRPLUSD(6)
44  REAL(LATTEPREC) :: KETEN(6), STRTEN(6)
45  REAL(LATTEPREC) :: PRESSURE, SYSVOL
46
47END MODULE VIRIALARRAY
48