1	   ANALYSIS OF L AND W2 IN THE SEMI-DIRECT MP2 CODE
2
3ROUTINE					OBJECTS				LINE
4-------------------------------------------------------------------------------
5mp2_energy				lai  liy	wij  wab  wai
6    mp2_grad_uhf (mp2_grad_doit.F)	lai  liy	wij  wab  wai   403
7        mp2_wijab_uhf					wij  wab
8        mp2_lai_uhf			lai  liy	          wai
9--->        GA_PRINT			     liy
10--->GA_PRINT				lai  liy	wij  wab  wai
11    mp2_make_piy			     liy			522
12    mp2_make_wiy (mp2_make_piy.F)	     liy	wij		526
13--->GA_PRINT				lai		wij
14    mp2_lai_fock_uhf			lai				547
15--->GA_PRINT				lai
16    mp2_make_cphf_rhs			lai				573
17    mp2_wij_fock_uhf (mp2_lai_fock_uhf)			wij		632
18--->GA_PRINT						wij
19    mp2_make_tot_wdens					wij  wab  wai	659
20
21Matrix dimensions
22	lai	C+A	V
23	liy	A	C
24	wij	C+A	C+A
25	wab	V	V
26	wai	C+A	V
27
28
29mp2_energy
30    mp2_grad_uhf (mp2_grad_doit.F)
31        mp2_wijab_uhf			create wij, wab from amplitudes
32        mp2_lai_uhf			lai3(jc) <-- t(jb,ia) (cb|ia)	L1
33					lai1(kb) <-- (ia|jk) t(jb,ia)	L2
34					lai1(yb) <-- (ia|jy) t(jb,ia)	L2
35					liy3(jy) <-- t(jb,ia) (yb|ia)	L1
36
37					if C lai3 <-- liy3
38
39					if C liy <-- liy3
40					lai <-- lai3 + lai1
41					wai <-- lai1
42
43--->        GA_PRINT			     liy
44--->GA_PRINT				lai  liy	wij  wab  wai
45
46    mp2_make_piy			piy <-- 0.5 liy (ei-ey)^-1 (liy = L1)
47    mp2_make_wiy (mp2_make_piy.F)	wiy <-- 0.5 liy		   (liy = L1)
48
49--->GA_PRINT				lai		wij
50
51    mp2_lai_fock_uhf			lai <-- fock build
52
53--->GA_PRINT				lai
54
55    mp2_make_cphf_rhs
56    mp2_wij_fock_uhf (mp2_lai_fock_uhf)	wij <-- fock build
57
58--->GA_PRINT						wij
59
60    mp2_make_tot_wdens			w <-- wij + wab + wai
61					w(pq) <-- -e(p) p(pq) (ij, ai, ab)
62