program potnew implicit real*8 (a-h,o-z) implicit integer*8 (i-n) character*80 filename,s80 dimension b(100) c write(6,*)' Rewrites Gaussian cube, may repair format flaws' write(6,*)' Filename:' read(5,'(a)')filename open(2,file=filename) open(3,file='NEW.BBB') read(2,2000)s80 2000 format(a80) write(3,2000)s80 read(2,2000)s80 write(3,2000)s80 read(2,*)nat,x,y,z write(3,3000)nat,x,y,z 3000 format(I5,3f12.6) read(2,*)i,x,y,z write(3,3000)i,x,y,z read(2,*)j,x,y,z write(3,3000)j,x,y,z read(2,*)k,x,y,z write(3,3000)k,x,y,z do 1 ii=1,nat read(2,*)iz,q,x,y,z 1 write(3,3001)iz,q,x,y,z 3001 format(I5,4f12.6) do 2 ii=1,i do 2 jj=1,j read(2,*)(b(kk),kk=1,k) do 3 kk=1,k 3 if(abs(b(kk)).lt.1.0d-20)b(kk)=0.0d0 2 write(3,3002)(b(kk),kk=1,k) 3002 format(6e13.5) close(2) close(3) stop end