/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdtq_alpha_offdiag/ |
H A D | ccsdtq_lr_alpha_5_3.F | 32 INTEGER p12b_1 89 CALL TCE_RESTRICTED_6(p12b,p3b,p4b,h13b,h5b,h6b,p12b_1,p3b_1,p4b_1 105 &1 - 1 + noab * (h6b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 115 & - 1 + noab * (h13b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 124 & - 1 + noab * (h5b_1 - 1 + noab * (h13b_1 - 1 + noab * (p12b_1 - n 135 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 145 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 155 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 164 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) 174 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) [all …]
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H A D | ccsdtq_lr_alpha_1_3.F | 32 INTEGER p12b_1 89 CALL TCE_RESTRICTED_6(p12b,p3b,p4b,h13b,h5b,h6b,p12b_1,p3b_1,p4b_1 105 &1 - 1 + noab * (h6b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 115 & - 1 + noab * (h13b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 124 & - 1 + noab * (h5b_1 - 1 + noab * (h13b_1 - 1 + noab * (p12b_1 - n 135 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 145 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 155 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 164 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) 174 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_yr/ |
H A D | ccsdt_y_tr1_9_2.F | 32 INTEGER p12b_1 89 CALL TCE_RESTRICTED_6(p12b,p3b,p4b,h11b,h6b,h7b,p12b_1,p3b_1,p4b_1 105 &1 - 1 + noab * (h7b_1 - 1 + noab * (h6b_1 - 1 + noab * (p12b_1 - n 115 & - 1 + noab * (h11b_1 - 1 + noab * (h6b_1 - 1 + noab * (p12b_1 - n 124 & - 1 + noab * (h6b_1 - 1 + noab * (h11b_1 - 1 + noab * (p12b_1 - n 135 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 145 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 155 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 164 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) 174 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdtq_alpha_offdiag/ |
H A D | ccsdtq_lr_alpha_5_3.F | 32 INTEGER p12b_1 89 CALL TCE_RESTRICTED_6(p12b,p3b,p4b,h13b,h5b,h6b,p12b_1,p3b_1,p4b_1 105 &1 - 1 + noab * (h6b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 115 & - 1 + noab * (h13b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 124 & - 1 + noab * (h5b_1 - 1 + noab * (h13b_1 - 1 + noab * (p12b_1 - n 135 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 145 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 155 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 164 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) 174 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) [all …]
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H A D | ccsdtq_lr_alpha_1_3.F | 32 INTEGER p12b_1 89 CALL TCE_RESTRICTED_6(p12b,p3b,p4b,h13b,h5b,h6b,p12b_1,p3b_1,p4b_1 105 &1 - 1 + noab * (h6b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 115 & - 1 + noab * (h13b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 124 & - 1 + noab * (h5b_1 - 1 + noab * (h13b_1 - 1 + noab * (p12b_1 - n 135 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 145 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 155 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 164 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) 174 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_yr/ |
H A D | ccsdt_y_tr1_9_2.F | 32 INTEGER p12b_1 89 CALL TCE_RESTRICTED_6(p12b,p3b,p4b,h11b,h6b,h7b,p12b_1,p3b_1,p4b_1 105 &1 - 1 + noab * (h7b_1 - 1 + noab * (h6b_1 - 1 + noab * (p12b_1 - n 115 & - 1 + noab * (h11b_1 - 1 + noab * (h6b_1 - 1 + noab * (p12b_1 - n 124 & - 1 + noab * (h6b_1 - 1 + noab * (h11b_1 - 1 + noab * (p12b_1 - n 135 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 145 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 155 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 164 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) 174 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/eomccsdtq/ |
H A D | eomccsdtq_density1_5_12_1.F | 32 INTEGER p12b_1 89 CALL TCE_RESTRICTED_6(p12b,p3b,p4b,h11b,h5b,h6b,p12b_1,p3b_1,p4b_1 105 &1 - 1 + noab * (h6b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 115 & - 1 + noab * (h11b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 124 & - 1 + noab * (h5b_1 - 1 + noab * (h11b_1 - 1 + noab * (p12b_1 - n 135 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 145 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 155 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 164 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) 174 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) [all …]
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H A D | eomccsdtq_density1_5_14.F | 32 INTEGER p12b_1 89 CALL TCE_RESTRICTED_6(p12b,p3b,p4b,h11b,h5b,h6b,p12b_1,p3b_1,p4b_1 105 &1 - 1 + noab * (h6b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 115 & - 1 + noab * (h11b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 124 & - 1 + noab * (h5b_1 - 1 + noab * (h11b_1 - 1 + noab * (p12b_1 - n 135 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 145 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 155 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 164 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) 174 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) [all …]
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H A D | eomccsdtq_density1_5_2.F | 32 INTEGER p12b_1 89 CALL TCE_RESTRICTED_6(p12b,p3b,p4b,h11b,h5b,h6b,p12b_1,p3b_1,p4b_1 105 &1 - 1 + noab * (h6b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 115 & - 1 + noab * (h11b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 124 & - 1 + noab * (h5b_1 - 1 + noab * (h11b_1 - 1 + noab * (p12b_1 - n 135 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 145 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 155 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 164 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) 174 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) [all …]
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H A D | eomccsdtq_x4_9_6.F | 38 INTEGER p12b_1 103 &_1,p11b_1,p12b_1,h1b_1,h2b_1,h3b_1,h10b_1) 164 &+ noab * (p6b_1 - noab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p 175 &+ noab * (p6b_1 - noab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p 186 &+ noab * (p6b_1 - noab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p 197 &+ noab * (p6b_1 - noab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p 208 &+ noab * (p12b_1 - noab - 1 + nvab * (p6b_1 - noab - 1 + nvab * (p 219 &+ noab * (p12b_1 - noab - 1 + nvab * (p6b_1 - noab - 1 + nvab * (p 230 &+ noab * (p12b_1 - noab - 1 + nvab * (p6b_1 - noab - 1 + nvab * (p 241 &+ noab * (p12b_1 - noab - 1 + nvab * (p6b_1 - noab - 1 + nvab * (p [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/eomccsdtq/ |
H A D | eomccsdtq_density1_5_12_1.F | 32 INTEGER p12b_1 89 CALL TCE_RESTRICTED_6(p12b,p3b,p4b,h11b,h5b,h6b,p12b_1,p3b_1,p4b_1 105 &1 - 1 + noab * (h6b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 115 & - 1 + noab * (h11b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 124 & - 1 + noab * (h5b_1 - 1 + noab * (h11b_1 - 1 + noab * (p12b_1 - n 135 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 145 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 155 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 164 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) 174 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) [all …]
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H A D | eomccsdtq_density1_5_14.F | 32 INTEGER p12b_1 89 CALL TCE_RESTRICTED_6(p12b,p3b,p4b,h11b,h5b,h6b,p12b_1,p3b_1,p4b_1 105 &1 - 1 + noab * (h6b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 115 & - 1 + noab * (h11b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 124 & - 1 + noab * (h5b_1 - 1 + noab * (h11b_1 - 1 + noab * (p12b_1 - n 135 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 145 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 155 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 164 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) 174 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) [all …]
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H A D | eomccsdtq_density1_5_2.F | 32 INTEGER p12b_1 89 CALL TCE_RESTRICTED_6(p12b,p3b,p4b,h11b,h5b,h6b,p12b_1,p3b_1,p4b_1 105 &1 - 1 + noab * (h6b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 115 & - 1 + noab * (h11b_1 - 1 + noab * (h5b_1 - 1 + noab * (p12b_1 - n 124 & - 1 + noab * (h5b_1 - 1 + noab * (h11b_1 - 1 + noab * (p12b_1 - n 135 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 145 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 155 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p3b_1 - noab - 1))))) 164 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) 174 &ab - 1 + nvab * (p3b_1 - noab - 1 + nvab * (p12b_1 - noab - 1))))) [all …]
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H A D | eomccsdtq_x4_9_6.F | 38 INTEGER p12b_1 103 &_1,p11b_1,p12b_1,h1b_1,h2b_1,h3b_1,h10b_1) 164 &+ noab * (p6b_1 - noab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p 175 &+ noab * (p6b_1 - noab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p 186 &+ noab * (p6b_1 - noab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p 197 &+ noab * (p6b_1 - noab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p 208 &+ noab * (p12b_1 - noab - 1 + nvab * (p6b_1 - noab - 1 + nvab * (p 219 &+ noab * (p12b_1 - noab - 1 + nvab * (p6b_1 - noab - 1 + nvab * (p 230 &+ noab * (p12b_1 - noab - 1 + nvab * (p6b_1 - noab - 1 + nvab * (p 241 &+ noab * (p12b_1 - noab - 1 + nvab * (p6b_1 - noab - 1 + nvab * (p [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_alpha_offdiag/ |
H A D | ccsdt_lr_alpha_offdiag_15_9.F | 34 INTEGER p12b_1 92 CALL TCE_RESTRICTED_6(p11b,p12b,p1b,h14b,h4b,h5b,p11b_1,p12b_1,p1b 109 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 119 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 129 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 139 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 150 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 160 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 171 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) 181 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) [all …]
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H A D | ccsdt_lr_alpha_offdiag_15_1.F | 34 INTEGER p12b_1 92 CALL TCE_RESTRICTED_6(p11b,p12b,p1b,h14b,h4b,h5b,p11b_1,p12b_1,p1b 109 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 119 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 129 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 139 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 150 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 160 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 171 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) 181 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_alpha_new/ |
H A D | ccsdt_lr_alpha2_9_9.F | 34 INTEGER p12b_1 local 92 CALL TCE_RESTRICTED_6(p11b,p12b,p1b,h14b,h4b,h5b,p11b_1,p12b_1,p1b 109 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 119 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 129 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 139 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 150 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 160 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 171 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) 181 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) [all …]
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H A D | ccsdt_lr_alpha2_9_1.F | 34 INTEGER p12b_1 92 CALL TCE_RESTRICTED_6(p11b,p12b,p1b,h14b,h4b,h5b,p11b_1,p12b_1,p1b 109 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 119 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 129 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 139 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 150 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 160 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 171 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) 181 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_beta/ |
H A D | ccsdt_lr_beta_2_8_9.F | 34 INTEGER p12b_1 92 CALL TCE_RESTRICTED_6(p11b,p12b,p1b,h14b,h4b,h5b,p11b_1,p12b_1,p1b 109 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 119 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 129 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 139 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 150 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 160 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 171 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) 181 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) [all …]
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H A D | ccsdt_lr_beta_2_8_1.F | 34 INTEGER p12b_1 92 CALL TCE_RESTRICTED_6(p11b,p12b,p1b,h14b,h4b,h5b,p11b_1,p12b_1,p1b 109 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 119 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 129 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 139 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 150 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 160 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 171 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) 181 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_alpha_new/ |
H A D | ccsdt_lr_alpha2_9_9.F | 34 INTEGER p12b_1 92 CALL TCE_RESTRICTED_6(p11b,p12b,p1b,h14b,h4b,h5b,p11b_1,p12b_1,p1b 109 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 119 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 129 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 139 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 150 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 160 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 171 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) 181 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_alpha_offdiag/ |
H A D | ccsdt_lr_alpha_offdiag_15_9.F | 34 INTEGER p12b_1 92 CALL TCE_RESTRICTED_6(p11b,p12b,p1b,h14b,h4b,h5b,p11b_1,p12b_1,p1b 109 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 119 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 129 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 139 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 150 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 160 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 171 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) 181 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) [all …]
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H A D | ccsdt_lr_alpha_offdiag_15_1.F | 34 INTEGER p12b_1 92 CALL TCE_RESTRICTED_6(p11b,p12b,p1b,h14b,h4b,h5b,p11b_1,p12b_1,p1b 109 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 119 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 129 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 139 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 150 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 160 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 171 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) 181 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_beta/ |
H A D | ccsdt_lr_beta_2_8_1.F | 34 INTEGER p12b_1 local 92 CALL TCE_RESTRICTED_6(p11b,p12b,p1b,h14b,h4b,h5b,p11b_1,p12b_1,p1b 109 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 119 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 129 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 139 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 150 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 160 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 171 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) 181 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) [all …]
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H A D | ccsdt_lr_beta_2_8_9.F | 34 INTEGER p12b_1 92 CALL TCE_RESTRICTED_6(p11b,p12b,p1b,h14b,h4b,h5b,p11b_1,p12b_1,p1b 109 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 119 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 129 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 139 &1 - 1 + noab * (h5b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 150 & - 1 + noab * (h14b_1 - 1 + noab * (h4b_1 - 1 + noab * (p12b_1 - n 160 & - 1 + noab * (h4b_1 - 1 + noab * (h14b_1 - 1 + noab * (p12b_1 - n 171 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) 181 &ab - 1 + nvab * (p12b_1 - noab - 1 + nvab * (p11b_1 - noab - 1)))) [all …]
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