!************************************************************************ ! AMBER ** ! ** ! Copyright (c) 1986, 1991, 1995 ** ! Regents of the University of California ** ! All Rights Reserved. ** ! ** ! This software provided pursuant to a license agreement containing ** ! restrictions on its disclosure, duplication, and use. This software ** ! contains confidential and proprietary information, and may not be ** ! extracted or distributed, in whole or in part, for any purpose ** ! whatsoever, without the express written permission of the authors. ** ! This notice, and the associated author list, must be attached to ** ! all copies, or extracts, of this software. Any additional ** ! restrictions set forth in the license agreement also apply to this ** ! software. ** !************************************************************************ !+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ !+ [Enter a one-line description of subroutine rdvect here] subroutine rdvect(vect,freq,nvect,n3,nf,xj,ieff,ivform,langevin) !--- this routine will read in eigenvectors implicit double precision (a-h,o-z) # include "sizes2.h" character(len=40) title character(len=4) star real freq4,xw(3*maxatom) dimension vect(n3,nvect),xj(*),freq(*) if (ivform == 0) then read(nf,err=990) n else read(nf,1) title read(nf,2) n end if if(n /= n3) then write(6,5) n,n3 call mexit(6, 1) end if if (ivform == 0) then read(nf,err=990) (xw(j),j=1,n3) do 40 k=1,n3 xj(k) = xw(k) 40 continue write(6,*) 'start of xj: ',xj(1),xj(2),xj(3),xj(4) else read(nf,3,err=990) (xj(j),j=1,n3) end if if( langevin == 1 ) return do 30 l = 1,nvect if (ivform == 0) then read(nf,end=90,err=990) ivec,freq4 freq(l) = freq4 write(6,*) l,freq(l) read(nf,err=990) (xw(k),k=1,n3) do 50 k=1,n3 vect(k,l) = xw(k) 50 continue else read(nf,4,end=90) star read(nf,2) ivec,freq(ivec),eff if (ieff == 1 .and. eff /= 0.0) freq(ivec) = eff read(nf,3) (vect(k,l),k=1,n3) end if 30 continue 1 format(a40) 2 format(i5,2f12.5) 3 format(7f11.5) 4 format(a4) 5 format (1x,' n and n3 do not match ',2i10) close(unit=nf) return 90 write(6,6) l-1 6 format(' Found only',i4,' eigenvectors on vecs file') nvect = l-1 close(unit=nf) return 990 write(6,*) 'Error in reading vecs file' call mexit(6,1) end subroutine rdvect