/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/eomccsdtq/ |
H A D | eomccsdtq_y3_25_1_1.F | 25 INTEGER h12b 72 DO h12b = 1,noab 100 CALL TCE_RESTRICTED_8(h4b,h12b,h9b,h10b,p1b,p2b,p3b,p7b,h4b_2,h12b 136 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p7b .lt. p1b)) T 147 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p1b .le. p7b) .a 158 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p2b .le. p7b) .a 169 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p3b .le. p7b)) T 180 IF ((h9b .le. h12b) .and. (h12b .lt. h10b) .and. (h10b .lt. h4b) . 191 IF ((h9b .le. h12b) .and. (h12b .lt. h10b) .and. (h10b .lt. h4b) . 202 IF ((h9b .le. h12b) .and. (h12b .lt. h10b) .and. (h10b .lt. h4b) . [all …]
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H A D | eomccsdtq_y1_7_7.F | 25 INTEGER h12b 61 DO h12b = 1,noab 67 &+h12b-1)+int_mb(k_spin+h13b-1)) THEN 72 &range+h12b-1) * int_mb(k_range+h13b-1) 79 &h12b-1)+int_mb(k_spin+h6b-1)) THEN 94 IF ((p4b .le. p14b) .and. (h6b .le. h12b)) THEN 102 IF ((p4b .le. p14b) .and. (h12b .lt. h6b)) THEN 110 IF ((p14b .lt. p4b) .and. (h6b .le. h12b)) THEN 118 IF ((p14b .lt. p4b) .and. (h12b .lt. h6b)) THEN 156 IF ((p14b .le. p15b) .and. (h12b .le. h13b)) THEN [all …]
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H A D | eomccsdtq_y3_26_1_1.F | 25 INTEGER h12b 72 DO h12b = 1,noab 136 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p8b .lt. p1b)) TH 147 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p7b .lt. p1b) .an 158 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p7b .lt. p1b) .an 169 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p1b .le. p7b) .an 180 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p1b .le. p7b) .an 191 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p2b .le. p7b)) TH 400 IF ((h9b .lt. h4b) .and. (h4b .le. h12b) .and. (h12b .lt. h5b) .an 411 IF ((h9b .lt. h4b) .and. (h4b .le. h12b) .and. (h12b .lt. h5b) .an [all …]
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H A D | eomccsdtq_y2_15_3.F | 24 INTEGER h12b 75 DO h12b = 1,noab 151 IF ((h9b .le. h12b) .and. (h12b .lt. h3b) .and. (p7b .lt. p1b)) TH 162 IF ((h9b .le. h12b) .and. (h12b .lt. h3b) .and. (p6b .lt. p1b) .an 173 IF ((h9b .le. h12b) .and. (h12b .lt. h3b) .and. (p5b .lt. p1b) .an 184 IF ((h9b .le. h12b) .and. (h12b .lt. h3b) .and. (p1b .le. p5b)) TH 195 IF ((h8b .le. h12b) .and. (h12b .lt. h9b) .and. (h9b .lt. h3b) .an 206 IF ((h8b .le. h12b) .and. (h12b .lt. h9b) .and. (h9b .lt. h3b) .an 217 IF ((h8b .le. h12b) .and. (h12b .lt. h9b) .and. (h9b .lt. h3b) .an 228 IF ((h8b .le. h12b) .and. (h12b .lt. h9b) .and. (h9b .lt. h3b) .an [all …]
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H A D | eomccsdtq_y1_13_4_4_3.F | 24 INTEGER h12b 75 DO h12b = 1,noab 152 IF ((h11b .le. h12b) .and. (h12b .lt. h2b) .and. (p9b .lt. p5b)) T 163 IF ((h11b .le. h12b) .and. (h12b .lt. h2b) .and. (p8b .lt. p5b) .a 174 IF ((h11b .le. h12b) .and. (h12b .lt. h2b) .and. (p7b .lt. p5b) .a 185 IF ((h11b .le. h12b) .and. (h12b .lt. h2b) .and. (p5b .le. p7b)) T 196 IF ((h10b .le. h12b) .and. (h12b .lt. h11b) .and. (h11b .lt. h2b) 207 IF ((h10b .le. h12b) .and. (h12b .lt. h11b) .and. (h11b .lt. h2b) 218 IF ((h10b .le. h12b) .and. (h12b .lt. h11b) .and. (h11b .lt. h2b) 229 IF ((h10b .le. h12b) .and. (h12b .lt. h11b) .and. (h11b .lt. h2b) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdtq_lambda/ |
H A D | ccsdtq_lambda3_25_1_1.F | 25 INTEGER h12b 72 DO h12b = 1,noab 100 CALL TCE_RESTRICTED_8(h4b,h12b,h9b,h10b,p1b,p2b,p3b,p7b,h4b_2,h12b 136 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p7b .lt. p1b)) T 147 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p1b .le. p7b) .a 158 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p2b .le. p7b) .a 169 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p3b .le. p7b)) T 180 IF ((h9b .le. h12b) .and. (h12b .lt. h10b) .and. (h10b .lt. h4b) . 191 IF ((h9b .le. h12b) .and. (h12b .lt. h10b) .and. (h10b .lt. h4b) . 202 IF ((h9b .le. h12b) .and. (h12b .lt. h10b) .and. (h10b .lt. h4b) . [all …]
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H A D | ccsdtq_lambda1_8_7.F | 25 INTEGER h12b 61 DO h12b = 1,noab 67 &+h12b-1)+int_mb(k_spin+h13b-1)) THEN 72 &range+h12b-1) * int_mb(k_range+h13b-1) 79 &h12b-1)+int_mb(k_spin+h6b-1)) THEN 94 IF ((p4b .le. p14b) .and. (h6b .le. h12b)) THEN 102 IF ((p4b .le. p14b) .and. (h12b .lt. h6b)) THEN 110 IF ((p14b .lt. p4b) .and. (h6b .le. h12b)) THEN 118 IF ((p14b .lt. p4b) .and. (h12b .lt. h6b)) THEN 156 IF ((p14b .le. p15b) .and. (h12b .le. h13b)) THEN [all …]
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H A D | ccsdtq_lambda3_26_1_1.F | 25 INTEGER h12b 72 DO h12b = 1,noab 136 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p8b .lt. p1b)) TH 147 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p7b .lt. p1b) .an 158 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p7b .lt. p1b) .an 169 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p1b .le. p7b) .an 180 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p1b .le. p7b) .an 191 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p2b .le. p7b)) TH 400 IF ((h9b .lt. h4b) .and. (h4b .le. h12b) .and. (h12b .lt. h5b) .an 411 IF ((h9b .lt. h4b) .and. (h4b .le. h12b) .and. (h12b .lt. h5b) .an [all …]
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H A D | ccsdtq_lambda1_14_4_4_3.F | 24 INTEGER h12b 75 DO h12b = 1,noab 152 IF ((h11b .le. h12b) .and. (h12b .lt. h2b) .and. (p9b .lt. p5b)) T 163 IF ((h11b .le. h12b) .and. (h12b .lt. h2b) .and. (p8b .lt. p5b) .a 174 IF ((h11b .le. h12b) .and. (h12b .lt. h2b) .and. (p7b .lt. p5b) .a 185 IF ((h11b .le. h12b) .and. (h12b .lt. h2b) .and. (p5b .le. p7b)) T 196 IF ((h10b .le. h12b) .and. (h12b .lt. h11b) .and. (h11b .lt. h2b) 207 IF ((h10b .le. h12b) .and. (h12b .lt. h11b) .and. (h11b .lt. h2b) 218 IF ((h10b .le. h12b) .and. (h12b .lt. h11b) .and. (h11b .lt. h2b) 229 IF ((h10b .le. h12b) .and. (h12b .lt. h11b) .and. (h11b .lt. h2b) [all …]
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H A D | ccsdtq_lambda2_16_3.F | 24 INTEGER h12b 75 DO h12b = 1,noab 151 IF ((h9b .le. h12b) .and. (h12b .lt. h3b) .and. (p7b .lt. p1b)) TH 162 IF ((h9b .le. h12b) .and. (h12b .lt. h3b) .and. (p6b .lt. p1b) .an 173 IF ((h9b .le. h12b) .and. (h12b .lt. h3b) .and. (p5b .lt. p1b) .an 184 IF ((h9b .le. h12b) .and. (h12b .lt. h3b) .and. (p1b .le. p5b)) TH 195 IF ((h8b .le. h12b) .and. (h12b .lt. h9b) .and. (h9b .lt. h3b) .an 206 IF ((h8b .le. h12b) .and. (h12b .lt. h9b) .and. (h9b .lt. h3b) .an 217 IF ((h8b .le. h12b) .and. (h12b .lt. h9b) .and. (h9b .lt. h3b) .an 228 IF ((h8b .le. h12b) .and. (h12b .lt. h9b) .and. (h9b .lt. h3b) .an [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdtq_lambda/ |
H A D | ccsdtq_lambda3_25_1_1.F | 25 INTEGER h12b 72 DO h12b = 1,noab 100 CALL TCE_RESTRICTED_8(h4b,h12b,h9b,h10b,p1b,p2b,p3b,p7b,h4b_2,h12b 136 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p7b .lt. p1b)) T 147 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p1b .le. p7b) .a 158 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p2b .le. p7b) .a 169 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p3b .le. p7b)) T 180 IF ((h9b .le. h12b) .and. (h12b .lt. h10b) .and. (h10b .lt. h4b) . 191 IF ((h9b .le. h12b) .and. (h12b .lt. h10b) .and. (h10b .lt. h4b) . 202 IF ((h9b .le. h12b) .and. (h12b .lt. h10b) .and. (h10b .lt. h4b) . [all …]
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H A D | ccsdtq_lambda1_8_7.F | 25 INTEGER h12b 61 DO h12b = 1,noab 67 &+h12b-1)+int_mb(k_spin+h13b-1)) THEN 72 &range+h12b-1) * int_mb(k_range+h13b-1) 79 &h12b-1)+int_mb(k_spin+h6b-1)) THEN 94 IF ((p4b .le. p14b) .and. (h6b .le. h12b)) THEN 102 IF ((p4b .le. p14b) .and. (h12b .lt. h6b)) THEN 110 IF ((p14b .lt. p4b) .and. (h6b .le. h12b)) THEN 118 IF ((p14b .lt. p4b) .and. (h12b .lt. h6b)) THEN 156 IF ((p14b .le. p15b) .and. (h12b .le. h13b)) THEN [all …]
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H A D | ccsdtq_lambda3_26_1_1.F | 25 INTEGER h12b 72 DO h12b = 1,noab 136 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p8b .lt. p1b)) TH 147 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p7b .lt. p1b) .an 158 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p7b .lt. p1b) .an 169 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p1b .le. p7b) .an 180 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p1b .le. p7b) .an 191 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p2b .le. p7b)) TH 400 IF ((h9b .lt. h4b) .and. (h4b .le. h12b) .and. (h12b .lt. h5b) .an 411 IF ((h9b .lt. h4b) .and. (h4b .le. h12b) .and. (h12b .lt. h5b) .an [all …]
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H A D | ccsdtq_lambda2_16_3.F | 24 INTEGER h12b 75 DO h12b = 1,noab 151 IF ((h9b .le. h12b) .and. (h12b .lt. h3b) .and. (p7b .lt. p1b)) TH 162 IF ((h9b .le. h12b) .and. (h12b .lt. h3b) .and. (p6b .lt. p1b) .an 173 IF ((h9b .le. h12b) .and. (h12b .lt. h3b) .and. (p5b .lt. p1b) .an 184 IF ((h9b .le. h12b) .and. (h12b .lt. h3b) .and. (p1b .le. p5b)) TH 195 IF ((h8b .le. h12b) .and. (h12b .lt. h9b) .and. (h9b .lt. h3b) .an 206 IF ((h8b .le. h12b) .and. (h12b .lt. h9b) .and. (h9b .lt. h3b) .an 217 IF ((h8b .le. h12b) .and. (h12b .lt. h9b) .and. (h9b .lt. h3b) .an 228 IF ((h8b .le. h12b) .and. (h12b .lt. h9b) .and. (h9b .lt. h3b) .an [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/eomccsdtq/ |
H A D | eomccsdtq_y3_25_1_1.F | 25 INTEGER h12b 72 DO h12b = 1,noab 100 CALL TCE_RESTRICTED_8(h4b,h12b,h9b,h10b,p1b,p2b,p3b,p7b,h4b_2,h12b 136 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p7b .lt. p1b)) T 147 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p1b .le. p7b) .a 158 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p2b .le. p7b) .a 169 IF ((h10b .le. h12b) .and. (h12b .lt. h4b) .and. (p3b .le. p7b)) T 180 IF ((h9b .le. h12b) .and. (h12b .lt. h10b) .and. (h10b .lt. h4b) . 191 IF ((h9b .le. h12b) .and. (h12b .lt. h10b) .and. (h10b .lt. h4b) . 202 IF ((h9b .le. h12b) .and. (h12b .lt. h10b) .and. (h10b .lt. h4b) . [all …]
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H A D | eomccsdtq_y1_7_7.F | 25 INTEGER h12b 61 DO h12b = 1,noab 67 &+h12b-1)+int_mb(k_spin+h13b-1)) THEN 72 &range+h12b-1) * int_mb(k_range+h13b-1) 79 &h12b-1)+int_mb(k_spin+h6b-1)) THEN 94 IF ((p4b .le. p14b) .and. (h6b .le. h12b)) THEN 102 IF ((p4b .le. p14b) .and. (h12b .lt. h6b)) THEN 110 IF ((p14b .lt. p4b) .and. (h6b .le. h12b)) THEN 118 IF ((p14b .lt. p4b) .and. (h12b .lt. h6b)) THEN 156 IF ((p14b .le. p15b) .and. (h12b .le. h13b)) THEN [all …]
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H A D | eomccsdtq_y3_26_1_1.F | 25 INTEGER h12b 72 DO h12b = 1,noab 136 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p8b .lt. p1b)) TH 147 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p7b .lt. p1b) .an 158 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p7b .lt. p1b) .an 169 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p1b .le. p7b) .an 180 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p1b .le. p7b) .an 191 IF ((h9b .le. h12b) .and. (h12b .lt. h4b) .and. (p2b .le. p7b)) TH 400 IF ((h9b .lt. h4b) .and. (h4b .le. h12b) .and. (h12b .lt. h5b) .an 411 IF ((h9b .lt. h4b) .and. (h4b .le. h12b) .and. (h12b .lt. h5b) .an [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_lambda/ |
H A D | ccsdt_lambda1_8_7.F | 25 INTEGER h12b 61 DO h12b = 1,noab 67 &+h12b-1)+int_mb(k_spin+h13b-1)) THEN 72 &range+h12b-1) * int_mb(k_range+h13b-1) 79 &h12b-1)+int_mb(k_spin+h6b-1)) THEN 94 IF ((p4b .le. p14b) .and. (h6b .le. h12b)) THEN 102 IF ((p4b .le. p14b) .and. (h12b .lt. h6b)) THEN 110 IF ((p14b .lt. p4b) .and. (h6b .le. h12b)) THEN 118 IF ((p14b .lt. p4b) .and. (h12b .lt. h6b)) THEN 156 IF ((p14b .le. p15b) .and. (h12b .le. h13b)) THEN [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_beta/ |
H A D | ccsdt_lr_beta_4_4_22.F | 25 INTEGER h12b 61 DO h12b = 1,noab 67 &+h12b-1)+int_mb(k_spin+h15b-1)) THEN 72 &range+h12b-1) * int_mb(k_range+h15b-1) 79 &h12b-1)+int_mb(k_spin+h7b-1)) THEN 94 IF ((p5b .le. p14b) .and. (h7b .le. h12b)) THEN 102 IF ((p5b .le. p14b) .and. (h12b .lt. h7b)) THEN 110 IF ((p14b .lt. p5b) .and. (h7b .le. h12b)) THEN 118 IF ((p14b .lt. p5b) .and. (h12b .lt. h7b)) THEN 156 IF ((p13b .le. p14b) .and. (h12b .le. h15b)) THEN [all …]
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H A D | ccsdt_lr_beta_4_4_14.F | 25 INTEGER h12b 61 DO h12b = 1,noab 67 &+h12b-1)+int_mb(k_spin+h15b-1)) THEN 72 &range+h12b-1) * int_mb(k_range+h15b-1) 79 &h12b-1)+int_mb(k_spin+h7b-1)) THEN 94 IF ((p5b .le. p14b) .and. (h7b .le. h12b)) THEN 102 IF ((p5b .le. p14b) .and. (h12b .lt. h7b)) THEN 110 IF ((p14b .lt. p5b) .and. (h7b .le. h12b)) THEN 118 IF ((p14b .lt. p5b) .and. (h12b .lt. h7b)) THEN 156 IF ((p13b .le. p14b) .and. (h12b .le. h15b)) THEN [all …]
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H A D | ccsdt_lr_beta_4_4_6.F | 25 INTEGER h12b 61 DO h12b = 1,noab 67 &+h12b-1)+int_mb(k_spin+h15b-1)) THEN 72 &range+h12b-1) * int_mb(k_range+h15b-1) 79 &h12b-1)+int_mb(k_spin+h7b-1)) THEN 94 IF ((p5b .le. p14b) .and. (h7b .le. h12b)) THEN 102 IF ((p5b .le. p14b) .and. (h12b .lt. h7b)) THEN 110 IF ((p14b .lt. p5b) .and. (h7b .le. h12b)) THEN 118 IF ((p14b .lt. p5b) .and. (h12b .lt. h7b)) THEN 156 IF ((p13b .le. p14b) .and. (h12b .le. h15b)) THEN [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_beta/ |
H A D | ccsdt_lr_beta_4_4_6.F | 25 INTEGER h12b 61 DO h12b = 1,noab 67 &+h12b-1)+int_mb(k_spin+h15b-1)) THEN 72 &range+h12b-1) * int_mb(k_range+h15b-1) 79 &h12b-1)+int_mb(k_spin+h7b-1)) THEN 94 IF ((p5b .le. p14b) .and. (h7b .le. h12b)) THEN 102 IF ((p5b .le. p14b) .and. (h12b .lt. h7b)) THEN 110 IF ((p14b .lt. p5b) .and. (h7b .le. h12b)) THEN 118 IF ((p14b .lt. p5b) .and. (h12b .lt. h7b)) THEN 156 IF ((p13b .le. p14b) .and. (h12b .le. h15b)) THEN [all …]
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H A D | ccsdt_lr_beta_4_4_14.F | 25 INTEGER h12b 61 DO h12b = 1,noab 67 &+h12b-1)+int_mb(k_spin+h15b-1)) THEN 72 &range+h12b-1) * int_mb(k_range+h15b-1) 79 &h12b-1)+int_mb(k_spin+h7b-1)) THEN 94 IF ((p5b .le. p14b) .and. (h7b .le. h12b)) THEN 102 IF ((p5b .le. p14b) .and. (h12b .lt. h7b)) THEN 110 IF ((p14b .lt. p5b) .and. (h7b .le. h12b)) THEN 118 IF ((p14b .lt. p5b) .and. (h12b .lt. h7b)) THEN 156 IF ((p13b .le. p14b) .and. (h12b .le. h15b)) THEN [all …]
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H A D | ccsdt_lr_beta_4_4_22.F | 25 INTEGER h12b local 61 DO h12b = 1,noab 67 &+h12b-1)+int_mb(k_spin+h15b-1)) THEN 72 &range+h12b-1) * int_mb(k_range+h15b-1) 79 &h12b-1)+int_mb(k_spin+h7b-1)) THEN 94 IF ((p5b .le. p14b) .and. (h7b .le. h12b)) THEN 102 IF ((p5b .le. p14b) .and. (h12b .lt. h7b)) THEN 110 IF ((p14b .lt. p5b) .and. (h7b .le. h12b)) THEN 118 IF ((p14b .lt. p5b) .and. (h12b .lt. h7b)) THEN 156 IF ((p13b .le. p14b) .and. (h12b .le. h15b)) THEN [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_lambda/ |
H A D | ccsdt_lambda1_8_7.F | 25 INTEGER h12b 61 DO h12b = 1,noab 67 &+h12b-1)+int_mb(k_spin+h13b-1)) THEN 72 &range+h12b-1) * int_mb(k_range+h13b-1) 79 &h12b-1)+int_mb(k_spin+h6b-1)) THEN 94 IF ((p4b .le. p14b) .and. (h6b .le. h12b)) THEN 102 IF ((p4b .le. p14b) .and. (h12b .lt. h6b)) THEN 110 IF ((p14b .lt. p4b) .and. (h6b .le. h12b)) THEN 118 IF ((p14b .lt. p4b) .and. (h12b .lt. h6b)) THEN 156 IF ((p14b .le. p15b) .and. (h12b .le. h13b)) THEN [all …]
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