Searched defs:gradfast (Results 1 – 1 of 1) sorted by relevance
238 subroutine gradfast (energy,derivs) subroutine242 real*8 energy243 real*8 derivs(3,*)244 logical save_vdw,save_repuls245 logical save_disp,save_charge246 logical save_chgdpl,save_dipole247 logical save_mpole,save_polar248 logical save_chgtrn,save_rxnfld249 logical save_solv,save_list