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Searched refs:d_i3 (Results 1 – 25 of 172) sorted by relevance

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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_beta/
H A Dccsdt_lr_beta_4.F327 INTEGER d_i3
372 &,d_i3,k_i3_offset)
384 &,d_i3,k_i3_offset)
405 &,d_i3,k_i3_offset)
417 &,d_i3,k_i3_offset)
438 &,d_i3,k_i3_offset)
450 &,d_i3,k_i3_offset)
480 &,d_i3,k_i3_offset)
482 &,d_i3,k_i3_offset)
494 &,d_i3,k_i3_offset)
[all …]
H A Dccsdt_lr_beta_2.F491 INTEGER d_i3
612 &,d_i3,k_i3_offset)
683 &,d_i3,k_i3_offset)
748 &,d_i3,k_i3_offset)
760 &,d_i3,k_i3_offset)
926 &,d_i3,k_i3_offset)
938 &,d_i3,k_i3_offset)
986 &,d_i3,k_i3_offset)
1408 &,d_i3,k_i3_offset)
1410 &,d_i3,k_i3_offset)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_beta/
H A Dccsdt_lr_beta_4.F327 INTEGER d_i3 local
372 &,d_i3,k_i3_offset)
384 &,d_i3,k_i3_offset)
405 &,d_i3,k_i3_offset)
417 &,d_i3,k_i3_offset)
438 &,d_i3,k_i3_offset)
450 &,d_i3,k_i3_offset)
480 &,d_i3,k_i3_offset)
482 &,d_i3,k_i3_offset)
494 &,d_i3,k_i3_offset)
[all …]
H A Dccsdt_lr_beta_2.F491 INTEGER d_i3
612 &,d_i3,k_i3_offset)
683 &,d_i3,k_i3_offset)
748 &,d_i3,k_i3_offset)
760 &,d_i3,k_i3_offset)
926 &,d_i3,k_i3_offset)
938 &,d_i3,k_i3_offset)
986 &,d_i3,k_i3_offset)
1408 &,d_i3,k_i3_offset)
1410 &,d_i3,k_i3_offset)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsd_beta/
H A Dbeta_1.F148 INTEGER d_i3 local
180 CALL DELETEFILE(d_i3)
191 CALL DELETEFILE(d_i3)
211 CALL DELETEFILE(d_i3)
222 CALL DELETEFILE(d_i3)
242 CALL DELETEFILE(d_i3)
253 CALL DELETEFILE(d_i3)
281 CALL DELETEFILE(d_i3)
301 CALL DELETEFILE(d_i3)
321 CALL DELETEFILE(d_i3)
[all …]
H A Dbeta_3.F214 INTEGER d_i3
299 CALL DELETEFILE(d_i3)
310 CALL DELETEFILE(d_i3)
334 CALL DELETEFILE(d_i3)
345 CALL DELETEFILE(d_i3)
431 CALL DELETEFILE(d_i3)
442 CALL DELETEFILE(d_i3)
493 CALL DELETEFILE(d_i3)
539 CALL DELETEFILE(d_i3)
616 CALL DELETEFILE(d_i3)
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsd_beta/
H A Dbeta_1.F148 INTEGER d_i3
180 CALL DELETEFILE(d_i3)
191 CALL DELETEFILE(d_i3)
211 CALL DELETEFILE(d_i3)
222 CALL DELETEFILE(d_i3)
242 CALL DELETEFILE(d_i3)
253 CALL DELETEFILE(d_i3)
281 CALL DELETEFILE(d_i3)
301 CALL DELETEFILE(d_i3)
321 CALL DELETEFILE(d_i3)
[all …]
H A Dbeta_3.F214 INTEGER d_i3
299 CALL DELETEFILE(d_i3)
310 CALL DELETEFILE(d_i3)
334 CALL DELETEFILE(d_i3)
345 CALL DELETEFILE(d_i3)
431 CALL DELETEFILE(d_i3)
442 CALL DELETEFILE(d_i3)
493 CALL DELETEFILE(d_i3)
539 CALL DELETEFILE(d_i3)
616 CALL DELETEFILE(d_i3)
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdtq_alpha_offdiag/
H A Dccsdtq_lr_alpha.F1044 INTEGER d_i3
3906 &d_i3,k_i3_offset)
3940 &d_i3,k_i3_offset)
4496 &d_i3,k_i3_offset)
4508 &d_i3,k_i3_offset)
4878 &d_i3,k_i3_offset)
4900 &d_i3,k_i3_offset)
5878 &d_i3,k_i3_offset)
5890 &d_i3,k_i3_offset)
6356 &d_i3,k_i3_offset)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdtq_alpha_offdiag/
H A Dccsdtq_lr_alpha.F1044 INTEGER d_i3
3906 &d_i3,k_i3_offset)
3940 &d_i3,k_i3_offset)
4496 &d_i3,k_i3_offset)
4508 &d_i3,k_i3_offset)
4878 &d_i3,k_i3_offset)
4900 &d_i3,k_i3_offset)
5878 &d_i3,k_i3_offset)
5890 &d_i3,k_i3_offset)
6356 &d_i3,k_i3_offset)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_alpha_new/
H A Dccsdt_lr_alpha2.F495 INTEGER d_i3 local
627 &,d_i3,k_i3_offset)
698 &,d_i3,k_i3_offset)
763 &,d_i3,k_i3_offset)
775 &,d_i3,k_i3_offset)
941 &,d_i3,k_i3_offset)
953 &,d_i3,k_i3_offset)
1001 &,d_i3,k_i3_offset)
1423 &,d_i3,k_i3_offset)
1425 &,d_i3,k_i3_offset)
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_alpha_new/
H A Dccsdt_lr_alpha2.F495 INTEGER d_i3
627 &,d_i3,k_i3_offset)
698 &,d_i3,k_i3_offset)
763 &,d_i3,k_i3_offset)
775 &,d_i3,k_i3_offset)
941 &,d_i3,k_i3_offset)
953 &,d_i3,k_i3_offset)
1001 &,d_i3,k_i3_offset)
1423 &,d_i3,k_i3_offset)
1425 &,d_i3,k_i3_offset)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_alpha_offdiag/
H A Dccsdt_lr_alpha_offdiag.F579 INTEGER d_i3 local
758 &set,d_i3,k_i3_offset)
762 CALL DELETEFILE(d_i3)
796 &set,d_i3,k_i3_offset)
800 CALL DELETEFILE(d_i3)
808 &set,d_i3,k_i3_offset)
812 CALL DELETEFILE(d_i3)
856 &set,d_i3,k_i3_offset)
860 CALL DELETEFILE(d_i3)
894 CALL DELETEFILE(d_i3)
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_alpha_offdiag/
H A Dccsdt_lr_alpha_offdiag.F579 INTEGER d_i3
758 &set,d_i3,k_i3_offset)
762 CALL DELETEFILE(d_i3)
796 &set,d_i3,k_i3_offset)
800 CALL DELETEFILE(d_i3)
808 &set,d_i3,k_i3_offset)
812 CALL DELETEFILE(d_i3)
856 &set,d_i3,k_i3_offset)
860 CALL DELETEFILE(d_i3)
894 CALL DELETEFILE(d_i3)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsd_alpha/
H A Dalpha_2.F216 INTEGER d_i3
312 CALL DELETEFILE(d_i3)
323 CALL DELETEFILE(d_i3)
347 CALL DELETEFILE(d_i3)
358 CALL DELETEFILE(d_i3)
444 CALL DELETEFILE(d_i3)
455 CALL DELETEFILE(d_i3)
506 CALL DELETEFILE(d_i3)
552 CALL DELETEFILE(d_i3)
629 CALL DELETEFILE(d_i3)
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsd_alpha/
H A Dalpha_2.F216 INTEGER d_i3
312 CALL DELETEFILE(d_i3)
323 CALL DELETEFILE(d_i3)
347 CALL DELETEFILE(d_i3)
358 CALL DELETEFILE(d_i3)
444 CALL DELETEFILE(d_i3)
455 CALL DELETEFILE(d_i3)
506 CALL DELETEFILE(d_i3)
552 CALL DELETEFILE(d_i3)
629 CALL DELETEFILE(d_i3)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/eomccsdtq/
H A Deomccsdtq_y1.F449 INTEGER d_i3
533 CALL DELETEFILE(d_i3)
611 CALL DELETEFILE(d_i3)
710 CALL DELETEFILE(d_i3)
722 CALL DELETEFILE(d_i3)
735 CALL DELETEFILE(d_i3)
768 CALL DELETEFILE(d_i3)
789 CALL DELETEFILE(d_i3)
811 CALL DELETEFILE(d_i3)
1020 CALL DELETEFILE(d_i3)
[all …]
H A Deomccsdtq_density1.F189 INTEGER d_i3
374 &d_i3,k_i3_offset)
376 &d_i3,k_i3_offset)
378 &d_i3,k_i3_offset)
380 &d_i3,k_i3_offset)
392 &d_i3,k_i3_offset)
394 &d_i3,k_i3_offset)
396 &d_i3,k_i3_offset)
408 &d_i3,k_i3_offset)
410 &d_i3,k_i3_offset)
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/eomccsdtq/
H A Deomccsdtq_y1.F449 INTEGER d_i3
533 CALL DELETEFILE(d_i3)
611 CALL DELETEFILE(d_i3)
710 CALL DELETEFILE(d_i3)
722 CALL DELETEFILE(d_i3)
735 CALL DELETEFILE(d_i3)
768 CALL DELETEFILE(d_i3)
789 CALL DELETEFILE(d_i3)
811 CALL DELETEFILE(d_i3)
1020 CALL DELETEFILE(d_i3)
[all …]
H A Deomccsdtq_density1.F189 INTEGER d_i3
374 &d_i3,k_i3_offset)
376 &d_i3,k_i3_offset)
378 &d_i3,k_i3_offset)
380 &d_i3,k_i3_offset)
392 &d_i3,k_i3_offset)
394 &d_i3,k_i3_offset)
396 &d_i3,k_i3_offset)
408 &d_i3,k_i3_offset)
410 &d_i3,k_i3_offset)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdtq_lambda/
H A Dccsdtq_lambda1.F451 INTEGER d_i3
537 CALL DELETEFILE(d_i3)
616 CALL DELETEFILE(d_i3)
716 CALL DELETEFILE(d_i3)
729 CALL DELETEFILE(d_i3)
743 CALL DELETEFILE(d_i3)
777 CALL DELETEFILE(d_i3)
799 CALL DELETEFILE(d_i3)
822 CALL DELETEFILE(d_i3)
967 CALL DELETEFILE(d_i3)
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdtq_lambda/
H A Dccsdtq_lambda1.F451 INTEGER d_i3
537 CALL DELETEFILE(d_i3)
616 CALL DELETEFILE(d_i3)
716 CALL DELETEFILE(d_i3)
729 CALL DELETEFILE(d_i3)
743 CALL DELETEFILE(d_i3)
777 CALL DELETEFILE(d_i3)
799 CALL DELETEFILE(d_i3)
822 CALL DELETEFILE(d_i3)
967 CALL DELETEFILE(d_i3)
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_yr/
H A Dccsdt_y_tr1.F254 INTEGER d_i3
397 CALL DELETEFILE(d_i3)
460 CALL DELETEFILE(d_i3)
473 CALL DELETEFILE(d_i3)
595 CALL DELETEFILE(d_i3)
628 CALL DELETEFILE(d_i3)
678 CALL DELETEFILE(d_i3)
691 CALL DELETEFILE(d_i3)
757 CALL DELETEFILE(d_i3)
783 CALL DELETEFILE(d_i3)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_yr/
H A Dccsdt_y_tr1.F254 INTEGER d_i3
397 CALL DELETEFILE(d_i3)
460 CALL DELETEFILE(d_i3)
473 CALL DELETEFILE(d_i3)
595 CALL DELETEFILE(d_i3)
628 CALL DELETEFILE(d_i3)
678 CALL DELETEFILE(d_i3)
691 CALL DELETEFILE(d_i3)
757 CALL DELETEFILE(d_i3)
783 CALL DELETEFILE(d_i3)
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_lambda/
H A Dccsdt_lambda1.F255 INTEGER d_i3
333 CALL DELETEFILE(d_i3)
411 CALL DELETEFILE(d_i3)
510 CALL DELETEFILE(d_i3)
522 CALL DELETEFILE(d_i3)
535 CALL DELETEFILE(d_i3)
568 CALL DELETEFILE(d_i3)
589 CALL DELETEFILE(d_i3)
611 CALL DELETEFILE(d_i3)
749 CALL DELETEFILE(d_i3)
[all …]

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