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 !
6! rights to use, reproduce, and distribute this software.  NEITHER THE     !
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 SETUPARRAY
23
24  USE MYPRECISION
25
26  IMPLICIT NONE
27  SAVE
28
29  INTEGER, ALLOCATABLE :: ELEMPOINTER(:)
30  INTEGER, ALLOCATABLE :: MATINDLIST(:), SPININDLIST(:)
31  REAL(LATTEPREC), ALLOCATABLE :: CR(:,:)
32  REAL(LATTEPREC), ALLOCATABLE :: HR0(:)
33  REAL(LATTEPREC), ALLOCATABLE :: HES(:), HEP(:), HED(:), HEF(:), ATOCC(:)
34  REAL(LATTEPREC), ALLOCATABLE :: H(:,:), BO(:,:), BOZERO(:), H0(:,:), HDIAG(:)
35  REAL(LATTEPREC), ALLOCATABLE :: ORTHORHO(:,:)
36  REAL(LATTEPREC), ALLOCATABLE :: F(:,:), FPP(:,:), FTOT(:,:), FCOUL(:,:), FPLUSD(:,:)
37  REAL(LATTEPREC), ALLOCATABLE :: FPUL(:,:), FSCOUL(:,:), FSSPIN(:,:), FSLCN(:,:)
38  REAL(LATTEPREC), ALLOCATABLE :: DELTAQ(:), MYCHARGE(:), QLIST(:), OLDQLIST(:)
39  REAL(LATTEPREC), ALLOCATABLE :: LCNSHIFT(:)
40  REAL(LATTEPREC), ALLOCATABLE :: HUBBARDU(:)
41  REAL(LATTEPREC), ALLOCATABLE :: RESPCHI(:)
42  CHARACTER(LEN=2), ALLOCATABLE :: ELE(:), ELE1(:), ELE2(:), ATELE(:)
43  CHARACTER(LEN=3), ALLOCATABLE :: BTYPE(:)
44  CHARACTER(LEN=4), ALLOCATABLE :: BASIS(:)
45
46  ! More Coulomb related data
47
48  REAL(LATTEPREC), ALLOCATABLE :: COULOMBV(:)
49
50END MODULE SETUPARRAY
51