1      SUBROUTINE alpha_2_3_5(d_a,k_a_offset,d_b,k_b_offset,d_c,k_c_offse
2     &t)
3C     $Id$
4C     This is a Fortran77 program generated by Tensor Contraction Engine v.1.0
5C     Copyright (c) Battelle & Pacific Northwest National Laboratory (2002)
6C     i1 ( p7 h8 )_vtrbtra + = -1/2 * Sum ( h3 h4 p2 ) * tra ( p2 p7 h3 h4 )_tra * i2 ( h3 h4 h8 p2 )_vtrb
7      IMPLICIT NONE
8#include "global.fh"
9#include "mafdecls.fh"
10#include "sym.fh"
11#include "errquit.fh"
12#include "tce.fh"
13      INTEGER d_a
14      INTEGER k_a_offset
15      INTEGER d_b
16      INTEGER k_b_offset
17      INTEGER d_c
18      INTEGER k_c_offset
19      INTEGER NXTASK
20      INTEGER next
21      INTEGER nprocs
22      INTEGER count
23      INTEGER p7b
24      INTEGER h8b
25      INTEGER dimc
26      INTEGER l_c_sort
27      INTEGER k_c_sort
28      INTEGER p2b
29      INTEGER h3b
30      INTEGER h4b
31      INTEGER p7b_1
32      INTEGER p2b_1
33      INTEGER h3b_1
34      INTEGER h4b_1
35      INTEGER h3b_2
36      INTEGER h4b_2
37      INTEGER h8b_2
38      INTEGER p2b_2
39      INTEGER dim_common
40      INTEGER dima_sort
41      INTEGER dima
42      INTEGER dimb_sort
43      INTEGER dimb
44      INTEGER l_a_sort
45      INTEGER k_a_sort
46      INTEGER l_a
47      INTEGER k_a
48      INTEGER l_b_sort
49      INTEGER k_b_sort
50      INTEGER l_b
51      INTEGER k_b
52      INTEGER nsubh(2)
53      INTEGER isubh
54      INTEGER l_c
55      INTEGER k_c
56      DOUBLE PRECISION FACTORIAL
57      EXTERNAL NXTASK
58      EXTERNAL FACTORIAL
59      nprocs = GA_NNODES()
60      count = 0
61      next = NXTASK(nprocs,1)
62      DO p7b = noab+1,noab+nvab
63      DO h8b = 1,noab
64      IF (next.eq.count) THEN
65      IF ((.not.restricted).or.(int_mb(k_spin+p7b-1)+int_mb(k_spin+h8b-1
66     &).ne.4)) THEN
67      IF (int_mb(k_spin+p7b-1) .eq. int_mb(k_spin+h8b-1)) THEN
68      IF (ieor(int_mb(k_sym+p7b-1),int_mb(k_sym+h8b-1)) .eq. ieor(irrep_
69     &v,ieor(irrep_trb,irrep_tra))) THEN
70      dimc = int_mb(k_range+p7b-1) * int_mb(k_range+h8b-1)
71      IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c_sort,k_c_sort)) CALL
72     & ERRQUIT('alpha_2_3_5',0,MA_ERR)
73      CALL DFILL(dimc,0.0d0,dbl_mb(k_c_sort),1)
74      DO p2b = noab+1,noab+nvab
75      DO h3b = 1,noab
76      DO h4b = h3b,noab
77      IF (int_mb(k_spin+p7b-1)+int_mb(k_spin+p2b-1) .eq. int_mb(k_spin+h
78     &3b-1)+int_mb(k_spin+h4b-1)) THEN
79      IF (ieor(int_mb(k_sym+p7b-1),ieor(int_mb(k_sym+p2b-1),ieor(int_mb(
80     &k_sym+h3b-1),int_mb(k_sym+h4b-1)))) .eq. irrep_tra) THEN
81      CALL TCE_RESTRICTED_4(p7b,p2b,h3b,h4b,p7b_1,p2b_1,h3b_1,h4b_1)
82      CALL TCE_RESTRICTED_4(h3b,h4b,h8b,p2b,h3b_2,h4b_2,h8b_2,p2b_2)
83      dim_common = int_mb(k_range+p2b-1) * int_mb(k_range+h3b-1) * int_m
84     &b(k_range+h4b-1)
85      dima_sort = int_mb(k_range+p7b-1)
86      dima = dim_common * dima_sort
87      dimb_sort = int_mb(k_range+h8b-1)
88      dimb = dim_common * dimb_sort
89      IF ((dima .gt. 0) .and. (dimb .gt. 0)) THEN
90      IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a_sort,k_a_sort)) CALL
91     & ERRQUIT('alpha_2_3_5',1,MA_ERR)
92      IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT('
93     &alpha_2_3_5',2,MA_ERR)
94      IF ((p2b .le. p7b)) THEN
95      CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h4b_1
96     & - 1 + noab * (h3b_1 - 1 + noab * (p7b_1 - noab - 1 + nvab * (p2b_
97     &1 - noab - 1)))))
98      CALL TCE_SORT_4(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+p2b-1)
99     &,int_mb(k_range+p7b-1),int_mb(k_range+h3b-1),int_mb(k_range+h4b-1)
100     &,2,4,3,1,1.0d0)
101      END IF
102      IF ((p7b .lt. p2b)) THEN
103      CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h4b_1
104     & - 1 + noab * (h3b_1 - 1 + noab * (p2b_1 - noab - 1 + nvab * (p7b_
105     &1 - noab - 1)))))
106      CALL TCE_SORT_4(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+p7b-1)
107     &,int_mb(k_range+p2b-1),int_mb(k_range+h3b-1),int_mb(k_range+h4b-1)
108     &,1,4,3,2,-1.0d0)
109      END IF
110      IF (.not.MA_POP_STACK(l_a)) CALL ERRQUIT('alpha_2_3_5',3,MA_ERR)
111      IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b_sort,k_b_sort)) CALL
112     & ERRQUIT('alpha_2_3_5',4,MA_ERR)
113      IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT('
114     &alpha_2_3_5',5,MA_ERR)
115      IF ((h8b .le. p2b)) THEN
116      CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p2b_2
117     & - noab - 1 + nvab * (h8b_2 - 1 + noab * (h4b_2 - 1 + noab * (h3b_
118     &2 - 1)))))
119      CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h3b-1)
120     &,int_mb(k_range+h4b-1),int_mb(k_range+h8b-1),int_mb(k_range+p2b-1)
121     &,3,2,1,4,1.0d0)
122      END IF
123      IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('alpha_2_3_5',6,MA_ERR)
124      nsubh(1) = 1
125      nsubh(2) = 1
126      isubh = 1
127      IF (h3b .eq. h4b) THEN
128      nsubh(isubh) = nsubh(isubh) + 1
129      ELSE
130      isubh = isubh + 1
131      END IF
132      CALL DGEMM('T','N',dima_sort,dimb_sort,dim_common,2.0d0/FACTORIAL(
133     &nsubh(1))/FACTORIAL(nsubh(2)),dbl_mb(k_a_sort),dim_common,dbl_mb(k
134     &_b_sort),dim_common,1.0d0,dbl_mb(k_c_sort),dima_sort)
135      IF (.not.MA_POP_STACK(l_b_sort)) CALL ERRQUIT('alpha_2_3_5',7,MA_E
136     &RR)
137      IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('alpha_2_3_5',8,MA_E
138     &RR)
139      END IF
140      END IF
141      END IF
142      END DO
143      END DO
144      END DO
145      IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c,k_c)) CALL ERRQUIT('
146     &alpha_2_3_5',9,MA_ERR)
147      CALL TCE_SORT_2(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+h8b-1)
148     &,int_mb(k_range+p7b-1),2,1,-1.0d0/2.0d0)
149      CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(h8b -
150     & 1 + noab * (p7b - noab - 1)))
151      IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('alpha_2_3_5',10,MA_ERR)
152      IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('alpha_2_3_5',11,MA_
153     &ERR)
154      END IF
155      END IF
156      END IF
157      next = NXTASK(nprocs,1)
158      END IF
159      count = count + 1
160      END DO
161      END DO
162      next = NXTASK(-nprocs,1)
163      call GA_SYNC()
164      RETURN
165      END
166