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Searched refs:rr5ik (Results 1 – 6 of 6) sorted by relevance

/dports/science/tinker/tinker/source/
H A Dempole1.f85 real*8 rr1ik,rr3ik,rr5ik local
368 rr5ik = dmpik(5)*rr5
387 term3 = 2.0d0 * rr5ik
738 rr5ik = dmpik(5)*rr5
757 term3 = 2.0d0 * rr5ik
1053 real*8 rr1ik,rr3ik,rr5ik local
1347 rr5ik = dmpik(5)*rr5
1366 term3 = 2.0d0 * rr5ik
1902 real*8 rr1ik,rr3ik,rr5ik local
2179 term3 = 2.0d0 * rr5ik
[all …]
H A Dempole2.f195 real*8 rr3ik,rr5ik,rr7ik local
479 rr5ik = dmpik(5)*rr5
488 & + dkr*rr5ik - qkr*rr7ik
490 & + dir*rr5ik + qir*rr7ik
491 term3 = 2.0d0 * rr5ik
492 term4 = -2.0d0 * (corek*rr5i+valk*rr5ik
494 term5 = -2.0d0 * (corei*rr5k+vali*rr5ik
812 rr5ik = dmpik(5)*rr5
821 & + dkr*rr5ik - qkr*rr7ik
823 & + dir*rr5ik + qir*rr7ik
[all …]
H A Dempole3.f88 real*8 rr1ik,rr3ik,rr5ik local
291 rr5ik = dmpik(5)*rr5
298 & + term3k*rr5k + term3ik*rr5ik
500 rr5ik = dmpik(5)*rr5
626 real*8 rr1ik,rr3ik,rr5ik local
839 rr5ik = dmpik(5)*rr5
1099 real*8 rr1ik,rr3ik,rr5ik local
1274 rr5ik = dmpik(5)*rr5
1506 rr5ik = dmpik(5)*rr5
1797 real*8 rr1ik,rr3ik,rr5ik local
[all …]
H A Dempole.f81 real*8 rr1ik,rr3ik,rr5ik local
267 rr5ik = dmpik(5)*rr5
274 & + term3k*rr5k + term3ik*rr5ik
450 rr5ik = dmpik(5)*rr5
457 & + term3k*rr5k + term3ik*rr5ik
544 real*8 rr1ik,rr3ik,rr5ik local
741 rr5ik = dmpik(5)*rr5
748 & + term3k*rr5k + term3ik*rr5ik
950 real*8 rr1ik,rr3ik,rr5ik local
1302 & + term3k*rr5k + term3ik*rr5ik
[all …]
H A Depolar1.f4172 real*8 rr5ik,rr7ik local
5104 term1 = rr5ik*yr
5105 term2 = rr5ik*xr
5113 term2 = rr5ik*yr
6280 term1 = rr5ik*yr
6281 term2 = rr5ik*xr
6289 term2 = rr5ik*yr
7032 real*8 rr5ik,rr7ik local
7980 term1 = rr5ik*yr
7981 term2 = rr5ik*xr
[all …]
H A Dinduce.f3188 real*8 rr3ik,rr5ik local
3566 rr5ik = dmpe(5) - (1.0d0-scalek*dmpik(5))*rr5
3570 dlocal(1,nlocal) = -rr3ik + rr5ik*xr*xr
3571 dlocal(2,nlocal) = rr5ik*xr*yr
3572 dlocal(3,nlocal) = rr5ik*xr*zr
3573 dlocal(4,nlocal) = -rr3ik + rr5ik*yr*yr
3574 dlocal(5,nlocal) = rr5ik*yr*zr
3575 dlocal(6,nlocal) = -rr3ik + rr5ik*zr*zr