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Searched refs:iwatm (Results 1 – 12 of 12) sorted by relevance

/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/
H A D	argos_cafe_fww.F	`96 iptr=iwatm(iwa) 198 iptr=iwatm(iwa) 250 + vdw(iptr,iwatm(jwa),3,4)e12-vdw(iptr,iwatm(jwa),1,4)c6 385 iptr=iwatm(iwa) 502 c64=vdw(iwatm(iwa),iwatm(jwa),1,4) 503 c124=vdw(iwatm(iwa),iwatm(jwa),3,4) 542 c6p=vdw(iwatm(iwa),iwatm(jwa),1,2) 543 c12p=vdw(iwatm(iwa),iwatm(jwa),3,2) 579 c6p=vdw(iwatm(iwa),iwatm(jwa),1,3) 580 c12p=vdw(iwatm(iwa),iwatm(jwa),3,3) [all …]`
H A D	argos_cafe_fw.F	`475 c6=vdw(iwatm(iwa),iwatm(jwa),2,iset) 478 c6p1=vdw(iwatm(iwa),iwatm(jwa),2,2) 479 c12p1=vdw(iwatm(iwa),iwatm(jwa),4,2) 482 c6p2=vdw(iwatm(iwa),iwatm(jwa),2,3) 483 c12p2=vdw(iwatm(iwa),iwatm(jwa),4,3) 486 c6t=vdw(iwatm(iwa),iwatm(jwa),2,4) 487 c12t=vdw(iwatm(iwa),iwatm(jwa),4,4) 579 c6p1=vdw(iwatm(iwa),iwatm(jwa),1,2) 583 c6p2=vdw(iwatm(iwa),iwatm(jwa),1,3) 587 c6t=vdw(iwatm(iwa),iwatm(jwa),1,4) [all …]`
H A D	argos_cafe_fpww.F	`3 + vdw,chg,iwatm,iwq,lwwndx,lwwjpt,lwwin,lwwj, 21 integer iwatm(mwa),iwq(mwa) 182 iptr=iwatm(iwa) 183 jptr=iwatm(jwa) 320 c64=vdw(iwatm(iwa),iwatm(jwa),1,4) 321 c124=vdw(iwatm(iwa),iwatm(jwa),3,4) 360 c6p=vdw(iwatm(iwa),iwatm(jwa),1,2) 361 c12p=vdw(iwatm(iwa),iwatm(jwa),3,2) 397 c6p=vdw(iwatm(iwa),iwatm(jwa),1,3) 398 c12p=vdw(iwatm(iwa),iwatm(jwa),3,3) [all …]`
H A D	argos_cafe_fsw.F	`103 c6=vdw(iptr,iwatm(jwa),1,iset) 104 c12=vdw(iptr,iwatm(jwa),3,iset) 224 c6=vdw(iptr,iwatm(jwa),1,iset) 295 dd=half(vdw(iptr,iwatm(jwa),3,4)e12-vdw(iptr,iwatm(jwa),1,4)c6) 298 + e14vdw(iptr,iwatm(jwa),3,4)) 300 + e14*vdw(iptr,iwatm(jwa),3,4)) 506 iwatmi=iwatm(iwa) 633 c64=vdw(isatm,iwatm(iwa),1,4) 644 c64=vdw(isatm,iwatm(iwa),1,4) 751 iwatyp=iwatm(iwa) [all …]`
H A D	argos_cafe_fpsw.F	`4 + vdw,chg,iwatm,iwq,iass,lswndx,lswjpt,lswin,lswj, 27 integer iass(mat,mat),iwatm(mwa),iwq(mwa) 256 iwatmi=iwatm(iwa) 423 c64=vdw(isatm,iwatm(iwa),1,4) 424 c124=vdw(isatm,iwatm(iwa),3,4) 433 c64=vdw(isatm,iwatm(iwa),1,4) 434 c124=vdw(isatm,iwatm(iwa),3,4) 445 c64=vdw(isatm,iwatm(iwa),1,4) 446 c124=vdw(isatm,iwatm(iwa),3,4) 531 iwatyp=iwatm(iwa) [all …]`
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/
H A D	argos_cafe_fww.F	`96 iptr=iwatm(iwa) 198 iptr=iwatm(iwa) 250 + vdw(iptr,iwatm(jwa),3,4)e12-vdw(iptr,iwatm(jwa),1,4)c6 385 iptr=iwatm(iwa) 502 c64=vdw(iwatm(iwa),iwatm(jwa),1,4) 503 c124=vdw(iwatm(iwa),iwatm(jwa),3,4) 542 c6p=vdw(iwatm(iwa),iwatm(jwa),1,2) 543 c12p=vdw(iwatm(iwa),iwatm(jwa),3,2) 579 c6p=vdw(iwatm(iwa),iwatm(jwa),1,3) 580 c12p=vdw(iwatm(iwa),iwatm(jwa),3,3) [all …]`
H A D	argos_cafe_fw.F	`475 c6=vdw(iwatm(iwa),iwatm(jwa),2,iset) 478 c6p1=vdw(iwatm(iwa),iwatm(jwa),2,2) 479 c12p1=vdw(iwatm(iwa),iwatm(jwa),4,2) 482 c6p2=vdw(iwatm(iwa),iwatm(jwa),2,3) 483 c12p2=vdw(iwatm(iwa),iwatm(jwa),4,3) 486 c6t=vdw(iwatm(iwa),iwatm(jwa),2,4) 487 c12t=vdw(iwatm(iwa),iwatm(jwa),4,4) 579 c6p1=vdw(iwatm(iwa),iwatm(jwa),1,2) 583 c6p2=vdw(iwatm(iwa),iwatm(jwa),1,3) 587 c6t=vdw(iwatm(iwa),iwatm(jwa),1,4) [all …]`
H A D	argos_cafe_fpww.F	`3 + vdw,chg,iwatm,iwq,lwwndx,lwwjpt,lwwin,lwwj, argument 21 integer iwatm(mwa),iwq(mwa) local 182 iptr=iwatm(iwa) 183 jptr=iwatm(jwa) 320 c64=vdw(iwatm(iwa),iwatm(jwa),1,4) 321 c124=vdw(iwatm(iwa),iwatm(jwa),3,4) 360 c6p=vdw(iwatm(iwa),iwatm(jwa),1,2) 361 c12p=vdw(iwatm(iwa),iwatm(jwa),3,2) 397 c6p=vdw(iwatm(iwa),iwatm(jwa),1,3) 398 c12p=vdw(iwatm(iwa),iwatm(jwa),3,3) [all …]`
H A D	argos_cafe_fsw.F	`103 c6=vdw(iptr,iwatm(jwa),1,iset) 104 c12=vdw(iptr,iwatm(jwa),3,iset) 224 c6=vdw(iptr,iwatm(jwa),1,iset) 295 dd=half(vdw(iptr,iwatm(jwa),3,4)e12-vdw(iptr,iwatm(jwa),1,4)c6) 298 + e14vdw(iptr,iwatm(jwa),3,4)) 300 + e14*vdw(iptr,iwatm(jwa),3,4)) 506 iwatmi=iwatm(iwa) 633 c64=vdw(isatm,iwatm(iwa),1,4) 644 c64=vdw(isatm,iwatm(iwa),1,4) 751 iwatyp=iwatm(iwa) [all …]`
H A D	argos_cafe_fpsw.F	`4 + vdw,chg,iwatm,iwq,iass,lswndx,lswjpt,lswin,lswj, argument 27 integer iass(mat,mat),iwatm(mwa),iwq(mwa) local 256 iwatmi=iwatm(iwa) 423 c64=vdw(isatm,iwatm(iwa),1,4) 424 c124=vdw(isatm,iwatm(iwa),3,4) 433 c64=vdw(isatm,iwatm(iwa),1,4) 434 c124=vdw(isatm,iwatm(iwa),3,4) 445 c64=vdw(isatm,iwatm(iwa),1,4) 446 c124=vdw(isatm,iwatm(iwa),3,4) 531 iwatyp=iwatm(iwa) [all …]`
/dports/science/nwchem-data/nwchem-7.0.2-release/src/cafe/
H A D	cf_f.fh	`597 c64=vdw(iwatm(iwa),iwatm(jwa),1,4) 598 c124=vdw(iwatm(iwa),iwatm(jwa),3,4) 637 c6p=vdw(iwatm(iwa),iwatm(jwa),1,2) 638 c12p=vdw(iwatm(iwa),iwatm(jwa),3,2) 674 c6p=vdw(iwatm(iwa),iwatm(jwa),1,3) 675 c12p=vdw(iwatm(iwa),iwatm(jwa),3,3) 5374 c6p1=vdw(iwatm(iwa),iwatm(jwa),2,2) 5378 c6p2=vdw(iwatm(iwa),iwatm(jwa),2,3) 5382 c6t=vdw(iwatm(iwa),iwatm(jwa),2,4) 5383 c12t=vdw(iwatm(iwa),iwatm(jwa),4,4) [all …]`
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/cafe/
H A D	cf_f.fh	`597 c64=vdw(iwatm(iwa),iwatm(jwa),1,4) 598 c124=vdw(iwatm(iwa),iwatm(jwa),3,4) 637 c6p=vdw(iwatm(iwa),iwatm(jwa),1,2) 638 c12p=vdw(iwatm(iwa),iwatm(jwa),3,2) 674 c6p=vdw(iwatm(iwa),iwatm(jwa),1,3) 675 c12p=vdw(iwatm(iwa),iwatm(jwa),3,3) 5374 c6p1=vdw(iwatm(iwa),iwatm(jwa),2,2) 5378 c6p2=vdw(iwatm(iwa),iwatm(jwa),2,3) 5382 c6t=vdw(iwatm(iwa),iwatm(jwa),2,4) 5383 c12t=vdw(iwatm(iwa),iwatm(jwa),4,4) [all …]`