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    Types: TextFile
    Names: »gonimstr«

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TextFile

;gosav time.200
clear funclinda funcfit nimstr
funclinda=set 50
funclinda=algol list.yes
external
real procedure nimstr(x,p,dy,bool);
value bool; boolean bool; array x,p,dy;
begin
integer i;
real dt,r1,r2,z1,z2,zc,R1,R2,v,s,c,m1,m2,M,dm,vr;
i:= x(1); R1:= p(1); vr:= pi/180; v:= p(2)*vr; R2:= R1-p(3);
m1:= 1.007825*3; m2:= 2.014102*3; c:= cos(v); s:= sin(v);
r1:= R1*s; r2:= R2*s;
if i=1 then begin
  dt:= 1/(m1*r1*r1)-1/(m2*r2*r2);
  dy(1):= (-2/(m1*r1**3)+2/(m2*r2**3))*s;
  dy(2):= -dt*vr*2*c/s;
end else if i=2 then begin
  dt:= -m1*r1*r1+m2*r2*r2;
  dy(1):= -(m1*r1-m2*r2)*2*s;
  dy(2):= -(m1*r1*R1-m2*r2*R2)*2*c*vr;
end else begin
  zc:= 1.4008; z1:= zc-R1*c; z2:= zc-R2*c;
  M:= 52.03521; dm:= m2-m1;
  dt:= (m2-dm*dm/M)*z2*z2 - m1*z1*z1 + (m2*r2*r2-m1*r1*r1)/2;
  dy(1):= -((m2-dm*dm/M)*z2-m1*z1)*c*2 + (m2*r2-m1*r1)*s;
  dy(2):=  (((m2-dm*dm/M)*z2*R2-m1*z1*R1)*s*2+(m2*r2*R2-m1*r1*R1)*c)*vr;
end;
nimstr:= dt end; end
i algfuncfit
rename funcfit.nimstr
;gosav
nimstr
<Nitromethane, Ib, dr = 0.>
3 1 3 f1
1.09701 107.46
0 3
1  0.15089579 1
2  3.258987733 0
3 10.16331425 1
nimstr
<Nitromethane, Ic, dr = 0.>
3 1 3 f1
1.09701 107.46
0 3
1  0.15089579 1
2  3.258987733 0
3 10.2231411 1
nimstr
<Nitromethane, Ib, dr = 0.003 Å.>
2 1 3 f1
1.09701 107.46
0.003 3
1  0.15089579 1
2 10.16331425 1
nimstr
<Nitromethane, Ic, dr = 0.003 Å.>
2 1 3 f1
1.09701 107.46
0.003 3
1  0.15089579 1
2 10.2231411 1
▶EOF◀