Home
last modified time | relevance | path

Searched refs:xrr2 (Results 1 – 5 of 5) sorted by relevance

/dports/science/tinker/tinker/source/
H A Dechgdpl2.f44 real*8 xrr2,yrr2,zrr2 local
153 xrr2 = xr / r2
166 termx = term * (xk+xrr2*term2)
219 dtdxi1 = -3.0d0 * xrr2
220 part = xk - dotk2*xrr2
235 factor = -3.0d0 * xrr2 * part
406 xrr2 = xr / r2
817 xrr2 = xr / r2
883 dtdxi1 = -3.0d0 * xrr2
884 part = xk - dotk2*xrr2
[all …]
H A Dedipole2.f44 real*8 dotik,xrr2,yrr2,zrr2 local
158 xrr2 = xr / r2
288 dtdxi1 = -5.0d0*si1*xrr2 + xiri2
290 & - 2.0d0*si1*dotik*xrr2
391 dtdxi2 = -5.0d0*si2*xrr2 - xiri2
393 & - 2.0d0*si2*dotik*xrr2
796 xrr2 = xr / r2
926 dtdxi1 = -5.0d0*si1*xrr2 + xiri2
928 & - 2.0d0*si1*dotik*xrr2
1029 dtdxi2 = -5.0d0*si2*xrr2 - xiri2
[all …]
/dports/science/tinker/tinker/other/
H A Dt2matrix.f287 xrr2 = xrr * xrr
326 xrr3 = xrr2 * xrr
381 xrr4 = xrr2 * xrr2
581 xrr2 = xrr * xrr
618 xrr3 = xrr2 * xrr
675 xrr4 = xrr2 * xrr2
753 xrr5 = xrr3 * xrr2
1201 real*8 xrr,xrr2,xrr3
1248 xrr2 = xrr * xrr
1282 xrr3 = xrr2 * xrr
[all …]
H A Depolar.f132 real*8 xrr,xrr2,xrr3 local
172 xrr2 = xrr * xrr
174 bx(2,2) = c(1,2,2) * xrr2
191 xrr3 = xrr2 * xrr
488 real*8 xrr,xrr2,xrr3,xrr4 local
529 xrr2 = xrr * xrr
531 bx(2,2) = c(1,2,2) * xrr2
548 xrr3 = xrr2 * xrr
570 xrr4 = xrr2 * xrr2
572 bx(4,2) = c(1,4,2) * xrr2
H A Dhessfull.f1764 real*8 xrr2,yrr2,zrr2,xkrk2,ykrk2,zkrk2 local
1837 xrr2 = xr / r2
1860 dtdxi1 = -3.0d0 * xrr2
1861 part = xk - dotk2*xrr2
1905 dtdxk1 = 1.5d0*xrr2 + xkrk2
1907 part2 = dotk*xrr2 - part
1956 dtdxk2 = 1.5d0*xrr2 - xkrk2
1958 part2 = dotk*xrr2 - part
2219 xrr2 = xr / r2
2291 dtdxi1 = -2.5d0*xrr2 + xiri2
[all …]