/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ |
H A D | tce_mo2e_zones_4a_disk_ga_chop.F | 35 INTEGER azone1,azone2,azone3,azone4 141 DO azone4 = azone3,atpart !rho 143 taskl_az12(taskl,2)=azone4 268 azone4=taskl_az12(ipip,2) 294 do rho = a2length(azone4)+1,a2length(azone4+1) 401 azone4=taskl_az12(ipip,2) 435 if(azone3.ne.azone4) then 461 if(azone3.eq.azone4) then 821 azone4=taskl_az12(i,2) 837 azone4=taskl_az12(i,2) [all …]
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H A D | tce_mo2e_2emet3_n5.F | 29 INTEGER azone1,azone2,azone3,azone4 220 DO azone4 = azone3,atpart !rho 224 1 nalength(azone3)*nalength(azone4) 247 do rho = a2length(azone4)+1,a2length(azone4+1) 389 DO azone4 = azone3,atpart !rho 424 if(azone3.ne.azone4) then 427 tot_azone4_sh=tot_zone(azone4) 428 do irho1 = 1,nalength(azone4) 450 if(azone3.eq.azone4) then 453 tot_azone4_sh=tot_zone(azone4) [all …]
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H A D | tce_mo2e_2emet4.F | 33 INTEGER azone1,azone2,azone3,azone4 139 DO azone4 = azone3,atpart !rho 141 taskl_az12(taskl,2)=azone4 266 azone4=taskl_az12(ipip,2) 292 do rho = a2length(azone4)+1,a2length(azone4+1) 399 azone4=taskl_az12(ipip,2) 433 if(azone3.ne.azone4) then 436 tot_azone4_sh=tot_zone(azone4) 437 do irho1 = 1,nalength(azone4) 459 if(azone3.eq.azone4) then [all …]
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H A D | tce_mo2e_2emet4_n5.F | 33 INTEGER azone1,azone2,azone3,azone4 139 DO azone4 = azone3,atpart !rho 141 taskl_az12(taskl,2)=azone4 266 azone4=taskl_az12(ipip,2) 292 do rho = a2length(azone4)+1,a2length(azone4+1) 399 azone4=taskl_az12(ipip,2) 433 if(azone3.ne.azone4) then 436 tot_azone4_sh=tot_zone(azone4) 437 do irho1 = 1,nalength(azone4) 459 if(azone3.eq.azone4) then [all …]
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H A D | new4ind_N5_osu.F | 33 INTEGER azone1,azone2,azone3,azone4 local 156 DO azone4=1,atpart 257 DO azone4 = azone3,atpart !rho 283 do rho = a2length(azone4)+1,a2length(azone4+1) 456 DO azone4=1,atpart 457 tot_azone4_sh=tot_zone(azone4) 462 do irho1 = 1,nalength(azone4) 481 1 nalength(azone4), !k 502 1 nalength(azone4), !k 1020 DO azone4 = azone3,atpart !rho [all …]
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H A D | tce_mo2e_zones_4a_disk_ga_chop_N5.F | 37 INTEGER azone1,azone2,azone3,azone4 148 DO azone4 = azone3,atpart !rho 150 taskl_az12(taskl,2)=azone4 291 azone4=taskl_az12(ipip,2) 317 do rho = a2length(azone4)+1,a2length(azone4+1) 424 azone4=taskl_az12(ipip,2) 449 tot_azone4_sh=tot_zone(azone4) 503 1 nalength(azone4), !k 537 1 nalength(azone4), !k 587 if(azone3.eq.azone4) then [all …]
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H A D | tce_mo2e_zones_4a_disk_ga_chop_act.F | 37 INTEGER azone1,azone2,azone3,azone4 151 DO azone4 = azone3,atpart !rho 153 taskl_az12(taskl,2)=azone4 294 azone4=taskl_az12(ipip,2) 320 do rho = a2length(azone4)+1,a2length(azone4+1) 427 azone4=taskl_az12(ipip,2) 452 tot_azone4_sh=tot_zone(azone4) 506 1 nalength(azone4), !k 540 1 nalength(azone4), !k 590 if(azone3.eq.azone4) then [all …]
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H A D | tce_mo2e_zones_4a_disk_2s_new.F | 29 INTEGER azone1,azone2,azone3,azone4 231 DO azone4 = azone3,atpart !rho 258 do rho = a2length(azone4)+1,a2length(azone4+1) 392 DO azone4 = azone3,atpart !rho 425 if(azone3.ne.azone4) then 428 tot_azone4_sh=tot_zone(azone4) 429 do irho1 = 1,nalength(azone4) 451 if(azone3.eq.azone4) then 454 tot_azone4_sh=tot_zone(azone4) 887 DO azone4 = azone3,atpart !rho [all …]
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H A D | tce_mo2e_zones_4a_disk_ga_act.F | 34 INTEGER azone1,azone2,azone3,azone4 244 DO azone4 = azone3,atpart !rho 265 do rho = a2length(azone4)+1,a2length(azone4+1) 405 DO azone4 = azone3,atpart !rho 431 tot_azone4_sh=tot_zone(azone4) 473 do irho1 = 1,nalength(azone4) 485 1 nalength(azone4), !k 507 do irho1 = 1,nalength(azone4) 519 1 nalength(azone4), !k 569 if(azone3.eq.azone4) then [all …]
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H A D | tce_mo2e_2emet3.F | 29 INTEGER azone1,azone2,azone3,azone4 220 DO azone4 = azone3,atpart !rho 247 do rho = a2length(azone4)+1,a2length(azone4+1) 389 DO azone4 = azone3,atpart !rho 424 if(azone3.ne.azone4) then 427 tot_azone4_sh=tot_zone(azone4) 428 do irho1 = 1,nalength(azone4) 450 if(azone3.eq.azone4) then 453 tot_azone4_sh=tot_zone(azone4) 454 do irho1 = 1,nalength(azone4) [all …]
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H A D | tce_mo2e_zones_4a_disk_ga.F | 31 INTEGER azone1,azone2,azone3,azone4 222 DO azone4 = azone3,atpart !rho 249 do rho = a2length(azone4)+1,a2length(azone4+1) 391 DO azone4 = azone3,atpart !rho 426 if(azone3.ne.azone4) then 429 tot_azone4_sh=tot_zone(azone4) 430 do irho1 = 1,nalength(azone4) 452 if(azone3.eq.azone4) then 455 tot_azone4_sh=tot_zone(azone4) 456 do irho1 = 1,nalength(azone4) [all …]
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H A D | tce_mo2e_zones_4a_disk_ga_N5.F | 34 INTEGER azone1,azone2,azone3,azone4 230 DO azone4 = azone3,atpart !rho 251 do rho = a2length(azone4)+1,a2length(azone4+1) 383 DO azone4 = azone3,atpart !rho 409 tot_azone4_sh=tot_zone(azone4) 451 do irho1 = 1,nalength(azone4) 463 1 nalength(azone4), !k 485 do irho1 = 1,nalength(azone4) 497 1 nalength(azone4), !k 547 if(azone3.eq.azone4) then [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ |
H A D | tce_mo2e_zones_4a_disk_ga_chop.F | 35 INTEGER azone1,azone2,azone3,azone4 141 DO azone4 = azone3,atpart !rho 143 taskl_az12(taskl,2)=azone4 268 azone4=taskl_az12(ipip,2) 294 do rho = a2length(azone4)+1,a2length(azone4+1) 401 azone4=taskl_az12(ipip,2) 435 if(azone3.ne.azone4) then 461 if(azone3.eq.azone4) then 821 azone4=taskl_az12(i,2) 837 azone4=taskl_az12(i,2) [all …]
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H A D | tce_mo2e_2emet3_n5.F | 29 INTEGER azone1,azone2,azone3,azone4 220 DO azone4 = azone3,atpart !rho 224 1 nalength(azone3)*nalength(azone4) 247 do rho = a2length(azone4)+1,a2length(azone4+1) 389 DO azone4 = azone3,atpart !rho 424 if(azone3.ne.azone4) then 427 tot_azone4_sh=tot_zone(azone4) 428 do irho1 = 1,nalength(azone4) 450 if(azone3.eq.azone4) then 453 tot_azone4_sh=tot_zone(azone4) [all …]
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H A D | tce_mo2e_2emet4.F | 33 INTEGER azone1,azone2,azone3,azone4 139 DO azone4 = azone3,atpart !rho 141 taskl_az12(taskl,2)=azone4 266 azone4=taskl_az12(ipip,2) 292 do rho = a2length(azone4)+1,a2length(azone4+1) 399 azone4=taskl_az12(ipip,2) 433 if(azone3.ne.azone4) then 436 tot_azone4_sh=tot_zone(azone4) 437 do irho1 = 1,nalength(azone4) 459 if(azone3.eq.azone4) then [all …]
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H A D | tce_mo2e_2emet4_n5.F | 33 INTEGER azone1,azone2,azone3,azone4 139 DO azone4 = azone3,atpart !rho 141 taskl_az12(taskl,2)=azone4 266 azone4=taskl_az12(ipip,2) 292 do rho = a2length(azone4)+1,a2length(azone4+1) 399 azone4=taskl_az12(ipip,2) 433 if(azone3.ne.azone4) then 436 tot_azone4_sh=tot_zone(azone4) 437 do irho1 = 1,nalength(azone4) 459 if(azone3.eq.azone4) then [all …]
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H A D | new4ind_N5_osu.F | 33 INTEGER azone1,azone2,azone3,azone4 156 DO azone4=1,atpart 257 DO azone4 = azone3,atpart !rho 283 do rho = a2length(azone4)+1,a2length(azone4+1) 456 DO azone4=1,atpart 457 tot_azone4_sh=tot_zone(azone4) 462 do irho1 = 1,nalength(azone4) 481 1 nalength(azone4), !k 502 1 nalength(azone4), !k 1020 DO azone4 = azone3,atpart !rho [all …]
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H A D | tce_mo2e_zones_4a_disk_ga_chop_N5.F | 37 INTEGER azone1,azone2,azone3,azone4 148 DO azone4 = azone3,atpart !rho 150 taskl_az12(taskl,2)=azone4 291 azone4=taskl_az12(ipip,2) 317 do rho = a2length(azone4)+1,a2length(azone4+1) 424 azone4=taskl_az12(ipip,2) 449 tot_azone4_sh=tot_zone(azone4) 503 1 nalength(azone4), !k 537 1 nalength(azone4), !k 587 if(azone3.eq.azone4) then [all …]
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H A D | tce_mo2e_zones_4a_disk_ga_chop_act.F | 37 INTEGER azone1,azone2,azone3,azone4 151 DO azone4 = azone3,atpart !rho 153 taskl_az12(taskl,2)=azone4 294 azone4=taskl_az12(ipip,2) 320 do rho = a2length(azone4)+1,a2length(azone4+1) 427 azone4=taskl_az12(ipip,2) 452 tot_azone4_sh=tot_zone(azone4) 506 1 nalength(azone4), !k 540 1 nalength(azone4), !k 590 if(azone3.eq.azone4) then [all …]
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H A D | tce_mo2e_zones_4a_disk_2s_new.F | 29 INTEGER azone1,azone2,azone3,azone4 231 DO azone4 = azone3,atpart !rho 258 do rho = a2length(azone4)+1,a2length(azone4+1) 392 DO azone4 = azone3,atpart !rho 425 if(azone3.ne.azone4) then 428 tot_azone4_sh=tot_zone(azone4) 429 do irho1 = 1,nalength(azone4) 451 if(azone3.eq.azone4) then 454 tot_azone4_sh=tot_zone(azone4) 887 DO azone4 = azone3,atpart !rho [all …]
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H A D | tce_mo2e_zones_4a_disk_ga_act.F | 34 INTEGER azone1,azone2,azone3,azone4 244 DO azone4 = azone3,atpart !rho 265 do rho = a2length(azone4)+1,a2length(azone4+1) 405 DO azone4 = azone3,atpart !rho 431 tot_azone4_sh=tot_zone(azone4) 473 do irho1 = 1,nalength(azone4) 485 1 nalength(azone4), !k 507 do irho1 = 1,nalength(azone4) 519 1 nalength(azone4), !k 569 if(azone3.eq.azone4) then [all …]
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H A D | tce_mo2e_2emet3.F | 29 INTEGER azone1,azone2,azone3,azone4 220 DO azone4 = azone3,atpart !rho 247 do rho = a2length(azone4)+1,a2length(azone4+1) 389 DO azone4 = azone3,atpart !rho 424 if(azone3.ne.azone4) then 427 tot_azone4_sh=tot_zone(azone4) 428 do irho1 = 1,nalength(azone4) 450 if(azone3.eq.azone4) then 453 tot_azone4_sh=tot_zone(azone4) 454 do irho1 = 1,nalength(azone4) [all …]
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H A D | tce_mo2e_zones_4a_disk_ga.F | 31 INTEGER azone1,azone2,azone3,azone4 222 DO azone4 = azone3,atpart !rho 249 do rho = a2length(azone4)+1,a2length(azone4+1) 391 DO azone4 = azone3,atpart !rho 426 if(azone3.ne.azone4) then 429 tot_azone4_sh=tot_zone(azone4) 430 do irho1 = 1,nalength(azone4) 452 if(azone3.eq.azone4) then 455 tot_azone4_sh=tot_zone(azone4) 456 do irho1 = 1,nalength(azone4) [all …]
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H A D | n4ind_offset.fh | 1 integer azone1,azone2,azone3,azone4 36 key_4af_off(azone1,azone2,azone3,azone4,atpart) = 37 = azone4 - 1 + atpart * (azone3 - 1 + 39 addr_4af(azone1,azone2,azone3,azone4,atpart) = 40 = azone4 +
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H A D | tce_mo2e_zones_4a_disk_ga_N5.F | 34 INTEGER azone1,azone2,azone3,azone4 230 DO azone4 = azone3,atpart !rho 251 do rho = a2length(azone4)+1,a2length(azone4+1) 383 DO azone4 = azone3,atpart !rho 409 tot_azone4_sh=tot_zone(azone4) 451 do irho1 = 1,nalength(azone4) 463 1 nalength(azone4), !k 485 do irho1 = 1,nalength(azone4) 497 1 nalength(azone4), !k 547 if(azone3.eq.azone4) then [all …]
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