Searched refs:fit_force (Results 1 – 6 of 6) sorted by relevance
48 void Force_fitter::fit_force(Array1 <doublevar> & r, in fit_force() function in Force_fitter50 Array1 <doublevar> & fit_force) { in fit_force()53 fit_force=bare_force; return; in fit_force()55 fit_force.Resize(ndim); in fit_force()56 fit_force=0; in fit_force()64 fit_force(d)=bare_force(d)*basis; in fit_force()68 fit_force=bare_force; in fit_force()
32 void fit_force(Array1 <doublevar> & r, Array1 <doublevar> & bare_force,33 Array1 <doublevar> & fit_force);
30 logical fit_struct,fit_force
58 fit_force = .false.97 fit_force = .true.2164 if (fit_force) then2215 if (fit_force) then2472 else if (fit_force) then
396 fitter.fit_force(R,tmpder, tmpder_fit); in locDerivative()
2279 fit_force logical flag to force-fit valence parameters