/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_beta/ |
H A D | OFFSET_ccsdt_lr_beta_2_8_2_4_1.F | 18 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 D | OFFSET_ccsdt_lr_beta_2_8_4_1.F | 18 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 D | OFFSET_ccsdt_lr_beta_4_4_15_1.F | 18 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 D | OFFSET_ccsdt_lr_beta_4_4_7_1.F | 18 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 D | OFFSET_ccsdt_lr_beta_4_4_7_2_1.F | 18 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 D | OFFSET_ccsdt_lr_alpha2_9_2_3_1.F | 18 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 D | tce_y2_offset_new.F | 17 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 D | tce_y2_offset.F | 17 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 D | offset_cr_eomccsd_t_n2_6_3_1.F | 18 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 D | offset_ccsdt_lr_alpha_offdiag_15_20_4_1.F | 18 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 D | offset_ccsdt_lr_alpha_offdiag_15_25_4_1.F | 18 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 D | offset_ccsdt_lr_alpha_offdiag_16_5_1.F | 18 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 D | offset_ccsdt_lr_alpha_offdiag_13_12_1.F | 18 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 D | offset_ccsdt_lr_alpha_offdiag_15_33_2_1.F | 18 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 D | offset_ccsdt_lr_alpha_offdiag_15_4_3_1.F | 18 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 D | OFFSET_ccsdt_lr_beta_2_8_2_1.F | 18 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 D | OFFSET_ccsdt_lr_beta_2_8_33_1_1.F | 18 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 D | OFFSET_ccsdt_lr_beta_4_4_13_2_1.F | 18 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 D | OFFSET_ccsdt_lr_beta_4_4_13_4_1.F | 18 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 D | OFFSET_ccsdt_lr_beta_4_4_21_2_1.F | 18 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 D | OFFSET_ccsdt_lr_beta_4_4_23_1.F | 18 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 D | OFFSET_ccsdt_lr_beta_4_4_5_2_1.F | 18 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 D | OFFSET_ccsdt_lr_beta_2_8_31_2_1.F | 18 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 D | OFFSET_ccsdt_y_tr1_13_1.F | 17 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 D | OFFSET_ccsdt_lambda1_8_10_1.F | 17 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 …]
|