program tab2genetic use iso_fortran_env, only: error_unit implicit none include 'nnparams.incl' include 'JTmod.incl' integer, parameter :: infile=100,enfile=101 character(len=2048) line real*8 cart(3,4),qint(maxnin) real*8 energies(4) ! useless crap written in table1 real*8 tmp character(len=1024) binary,infile_name character(len=3) lfmt,ofmt parameter (lfmt='(A)',ofmt='(A)') integer, parameter :: uerr=error_unit, uout=6 integer j,k call getarg(0,binary) if (iargc().lt.2) then write(uerr,ofmt) 'ERROR: Missing madatory argument.' write(uerr,ofmt) trim(binary) > // ' CART_FILENAME EN_FILENAME' stop endif call getarg(1,infile_name) write(uerr,ofmt) ' Input file: '//trim(infile_name) open(infile,file=trim(infile_name),status='old',action='read') call getarg(2,infile_name) write(uerr,ofmt) ' Energy file: '//trim(infile_name) open(enfile,file=trim(infile_name),status='old',action='read') do read(infile,lfmt,err=403,end=404) line cart(:,1)=0 read(line,*,err=405,end=403) tmp, cart(1:3,2:4) call cart2int(cart,qint) do read(enfile,lfmt,err=400,end=404) line read(line,*,err=400,end=400) tmp,energies exit 400 cycle enddo ! order: E, xs,ys,xb,yb,a,b do k=1,4 write(uout,'(F15.8,6F20.6)') > energies(k), > (qint(pat_index(j)), j=2,5), > qint(pat_index(1)), > qint(pat_index(6)) enddo 403 cycle 404 exit 405 write(uerr,*) 'WARNING: MALFORMED LINE: "' > //trim(line)//'"' enddo close(infile) close(enfile) end program