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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdtq_alpha_offdiag/
H A Dccsdtq_lr_alpha_5_3.F32 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 …]
H A Dccsdtq_lr_alpha_1_3.F32 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_yr/
H A Dccsdt_y_tr1_9_2.F32 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdtq_alpha_offdiag/
H A Dccsdtq_lr_alpha_5_3.F32 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 …]
H A Dccsdtq_lr_alpha_1_3.F32 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_yr/
H A Dccsdt_y_tr1_9_2.F32 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/eomccsdtq/
H A Deomccsdtq_density1_5_12_1.F32 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 …]
H A Deomccsdtq_density1_5_14.F32 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 …]
H A Deomccsdtq_density1_5_2.F32 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 …]
H A Deomccsdtq_x4_9_6.F38 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/eomccsdtq/
H A Deomccsdtq_density1_5_12_1.F32 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 …]
H A Deomccsdtq_density1_5_14.F32 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 …]
H A Deomccsdtq_density1_5_2.F32 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 …]
H A Deomccsdtq_x4_9_6.F38 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_alpha_offdiag/
H A Dccsdt_lr_alpha_offdiag_15_9.F34 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 …]
H A Dccsdt_lr_alpha_offdiag_15_1.F34 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_alpha_new/
H A Dccsdt_lr_alpha2_9_9.F34 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 …]
H A Dccsdt_lr_alpha2_9_1.F34 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_beta/
H A Dccsdt_lr_beta_2_8_9.F34 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 …]
H A Dccsdt_lr_beta_2_8_1.F34 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_alpha_new/
H A Dccsdt_lr_alpha2_9_9.F34 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_alpha_offdiag/
H A Dccsdt_lr_alpha_offdiag_15_9.F34 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 …]
H A Dccsdt_lr_alpha_offdiag_15_1.F34 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_beta/
H A Dccsdt_lr_beta_2_8_1.F34 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 …]
H A Dccsdt_lr_beta_2_8_9.F34 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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