Home
last modified time | relevance | path

Searched refs:h7b (Results 151 – 175 of 4615) sorted by relevance

12345678910>>...185

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_beta/
H A DOFFSET_ccsdt_lr_beta_2_8_2_4_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h8b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
47 DO h7b = 1,noab
48 DO h8b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
H A DOFFSET_ccsdt_lr_beta_2_8_4_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h8b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
47 DO h7b = 1,noab
48 DO h8b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
H A DOFFSET_ccsdt_lr_beta_4_4_15_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h8b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
47 DO h7b = 1,noab
48 DO h8b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
H A DOFFSET_ccsdt_lr_beta_4_4_7_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h8b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
47 DO h7b = 1,noab
48 DO h8b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
H A DOFFSET_ccsdt_lr_beta_4_4_7_2_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h8b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
47 DO h7b = 1,noab
48 DO h8b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_alpha_new/
H A DOFFSET_ccsdt_lr_alpha2_9_2_3_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h8b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
47 DO h7b = 1,noab
48 DO h8b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/
H A Dtce_y2_offset_new.F17 INTEGER h7b
23 DO h7b = 1,noab
24 DO h8b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+p
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
31 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
46 DO h7b = 1,noab
47 DO h8b = h7b,noab
50 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+p
52 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
H A Dtce_y2_offset.F17 INTEGER h7b
22 DO h7b = 1,noab
23 DO h8b = h7b,noab
26 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+p
28 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
30 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
45 DO h7b = 1,noab
46 DO h8b = h7b,noab
49 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+p
51 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/cr-eomccsd_t/
H A Doffset_cr_eomccsd_t_n2_6_3_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h8b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
31 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
46 DO h7b = 1,noab
47 DO h8b = h7b,noab
50 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
52 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_alpha_offdiag/
H A Doffset_ccsdt_lr_alpha_offdiag_15_20_4_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h10b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-
47 DO h7b = 1,noab
48 DO h10b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
[all …]
H A Doffset_ccsdt_lr_alpha_offdiag_15_25_4_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h10b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-
47 DO h7b = 1,noab
48 DO h10b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
[all …]
H A Doffset_ccsdt_lr_alpha_offdiag_16_5_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h8b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
47 DO h7b = 1,noab
48 DO h8b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
H A Doffset_ccsdt_lr_alpha_offdiag_13_12_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h13b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h13b-1) .eq. int_mb(k_spin+
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h13b-1),ieor(int_mb
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h13b-
47 DO h7b = 1,noab
48 DO h13b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h13b-1) .eq. int_mb(k_spin+
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h13b-1),ieor(int_mb
[all …]
H A Doffset_ccsdt_lr_alpha_offdiag_15_33_2_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h10b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-
47 DO h7b = 1,noab
48 DO h10b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
[all …]
H A Doffset_ccsdt_lr_alpha_offdiag_15_4_3_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h8b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
47 DO h7b = 1,noab
48 DO h8b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_beta/
H A DOFFSET_ccsdt_lr_beta_2_8_2_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h8b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
47 DO h7b = 1,noab
48 DO h8b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
H A DOFFSET_ccsdt_lr_beta_2_8_33_1_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h8b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
47 DO h7b = 1,noab
48 DO h8b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
H A DOFFSET_ccsdt_lr_beta_4_4_13_2_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h10b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-
47 DO h7b = 1,noab
48 DO h10b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
[all …]
H A DOFFSET_ccsdt_lr_beta_4_4_13_4_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h10b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-
47 DO h7b = 1,noab
48 DO h10b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
[all …]
H A DOFFSET_ccsdt_lr_beta_4_4_21_2_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h10b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-
47 DO h7b = 1,noab
48 DO h10b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
[all …]
H A DOFFSET_ccsdt_lr_beta_4_4_23_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h8b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
47 DO h7b = 1,noab
48 DO h8b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
H A DOFFSET_ccsdt_lr_beta_4_4_5_2_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h10b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-
47 DO h7b = 1,noab
48 DO h10b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
[all …]
H A DOFFSET_ccsdt_lr_beta_2_8_31_2_1.F18 INTEGER h7b
23 DO h7b = 1,noab
24 DO h10b = h7b,noab
27 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
29 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
32 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-
47 DO h7b = 1,noab
48 DO h10b = h7b,noab
51 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h10b-1) .eq. int_mb(k_spin+
53 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h10b-1),ieor(int_mb
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_yr/
H A DOFFSET_ccsdt_y_tr1_13_1.F17 INTEGER h7b
22 DO h7b = 1,noab
23 DO h8b = h7b,noab
26 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
28 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
31 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
46 DO h7b = 1,noab
47 DO h8b = h7b,noab
50 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
52 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_lambda/
H A DOFFSET_ccsdt_lambda1_8_10_1.F17 INTEGER h7b
22 DO h7b = 1,noab
23 DO h8b = h7b,noab
26 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
28 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
30 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1
45 DO h7b = 1,noab
46 DO h8b = h7b,noab
49 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+h8b-1) .eq. int_mb(k_spin+h
51 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+h8b-1),ieor(int_mb(
[all …]

12345678910>>...185