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Searched refs:h12b (Results 1 – 25 of 3556) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/eomccsdtq/
H A Deomccsdtq_y3_25_1_1.F25 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 …]
H A Deomccsdtq_y1_7_7.F25 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 …]
H A Deomccsdtq_y3_26_1_1.F25 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 …]
H A Deomccsdtq_y2_15_3.F24 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 …]
H A Deomccsdtq_y1_13_4_4_3.F24 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdtq_lambda/
H A Dccsdtq_lambda3_25_1_1.F25 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 …]
H A Dccsdtq_lambda1_8_7.F25 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 …]
H A Dccsdtq_lambda3_26_1_1.F25 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 …]
H A Dccsdtq_lambda1_14_4_4_3.F24 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 …]
H A Dccsdtq_lambda2_16_3.F24 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdtq_lambda/
H A Dccsdtq_lambda3_25_1_1.F25 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 …]
H A Dccsdtq_lambda1_8_7.F25 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 …]
H A Dccsdtq_lambda3_26_1_1.F25 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 …]
H A Dccsdtq_lambda2_16_3.F24 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/eomccsdtq/
H A Deomccsdtq_y3_25_1_1.F25 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 …]
H A Deomccsdtq_y1_7_7.F25 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 …]
H A Deomccsdtq_y3_26_1_1.F25 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_lambda/
H A Dccsdt_lambda1_8_7.F25 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_beta/
H A Dccsdt_lr_beta_4_4_22.F25 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 …]
H A Dccsdt_lr_beta_4_4_14.F25 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 …]
H A Dccsdt_lr_beta_4_4_6.F25 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_beta/
H A Dccsdt_lr_beta_4_4_6.F25 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 …]
H A Dccsdt_lr_beta_4_4_14.F25 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 …]
H A Dccsdt_lr_beta_4_4_22.F25 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_lambda/
H A Dccsdt_lambda1_8_7.F25 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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