mirror of
https://github.com/TREX-CoE/Sherman-Morrison.git
synced 2024-07-03 09:56:09 +02:00
33 lines
1.5 KiB
Plaintext
33 lines
1.5 KiB
Plaintext
#START_PACKET
|
|
#CYCLE_ID: 8169
|
|
#SLATER_MATRIX_DIM: 4
|
|
#NUPDATES: 2
|
|
#SLATER_MATRIX: (i (outer), j (inner)), slater_matrix_alpha(i,j), ddet * slater_matrix_alpha_inv_det(i,j) / ddet
|
|
(01,01) 0.100000000000000E+01 0.100000000000000E+01
|
|
(01,02) 0.000000000000000E+00 0.100000000000000E+01
|
|
(01,03) 0.100000000000000E+01 -0.100000000000000E+01
|
|
(01,04) -0.100000000000000E+01 -0.100000000000000E+01
|
|
(02,01) 0.000000000000000E+00 -0.100000000000000E+01
|
|
(02,02) 0.100000000000000E+01 0.000000000000000E+00
|
|
(02,03) 0.100000000000000E+01 0.100000000000000E+01
|
|
(02,04) 0.000000000000000E+00 0.000000000000000E+00
|
|
(03,01) -0.100000000000000E+01 0.100000000000000E+01
|
|
(03,02) 0.000000000000000E+00 0.200000000000000E+01
|
|
(03,03) -0.100000000000000E+01 -0.200000000000000E+01
|
|
(03,04) 0.000000000000000E+00 -0.100000000000000E+01
|
|
(04,01) 0.100000000000000E+01 0.100000000000000E+01
|
|
(04,02) 0.100000000000000E+01 0.100000000000000E+01
|
|
(04,03) 0.100000000000000E+01 -0.100000000000000E+01
|
|
(04,04) 0.100000000000000E+01 0.000000000000000E+00
|
|
#COL_UPDATE_INDEX: 2
|
|
#COL_UPDATE_COMP_(01): 0.000000000000000E+00
|
|
#COL_UPDATE_COMP_(02): -1.000000000000000E+00
|
|
#COL_UPDATE_COMP_(03): 0.000000000000000E+00
|
|
#COL_UPDATE_COMP_(04): 1.000000000000000E+00
|
|
#COL_UPDATE_INDEX: 4
|
|
#COL_UPDATE_COMP_(01): -1.000000000000000E+00
|
|
#COL_UPDATE_COMP_(02): -1.000000000000000E+00
|
|
#COL_UPDATE_COMP_(03): 0.000000000000000E+00
|
|
#COL_UPDATE_COMP_(04): -1.000000000000000E+00
|
|
#END_PACKET
|