/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_beta/ |
H A D | ccsdt_lr_beta_4.F | 327 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 …]
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H A D | ccsdt_lr_beta_2.F | 491 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_beta/ |
H A D | ccsdt_lr_beta_4.F | 327 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 …]
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H A D | ccsdt_lr_beta_2.F | 491 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsd_beta/ |
H A D | beta_1.F | 148 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 …]
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H A D | beta_3.F | 214 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsd_beta/ |
H A D | beta_1.F | 148 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 …]
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H A D | beta_3.F | 214 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdtq_alpha_offdiag/ |
H A D | ccsdtq_lr_alpha.F | 1044 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdtq_alpha_offdiag/ |
H A D | ccsdtq_lr_alpha.F | 1044 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_alpha_new/ |
H A D | ccsdt_lr_alpha2.F | 495 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_alpha_new/ |
H A D | ccsdt_lr_alpha2.F | 495 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_alpha_offdiag/ |
H A D | ccsdt_lr_alpha_offdiag.F | 579 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 …]
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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.F | 579 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsd_alpha/ |
H A D | alpha_2.F | 216 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsd_alpha/ |
H A D | alpha_2.F | 216 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/eomccsdtq/ |
H A D | eomccsdtq_y1.F | 449 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 …]
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H A D | eomccsdtq_density1.F | 189 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/eomccsdtq/ |
H A D | eomccsdtq_y1.F | 449 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 …]
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H A D | eomccsdtq_density1.F | 189 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdtq_lambda/ |
H A D | ccsdtq_lambda1.F | 451 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdtq_lambda/ |
H A D | ccsdtq_lambda1.F | 451 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_yr/ |
H A D | ccsdt_y_tr1.F | 254 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_yr/ |
H A D | ccsdt_y_tr1.F | 254 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsdt_lambda/ |
H A D | ccsdt_lambda1.F | 255 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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