Searched refs:rr5ik (Results 1 – 6 of 6) sorted by relevance
/dports/science/tinker/tinker/source/ |
H A D | empole1.f | 85 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 D | empole2.f | 195 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 D | empole3.f | 88 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 D | empole.f | 81 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 D | epolar1.f | 4172 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 D | induce.f | 3188 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
|