xyz数据当中最后3列有0的部分不写入，但是其它部分正常写入

fcode

也许这个代码是你需要的

[Fortran] 纯文本查看 复制代码

Program removezero
  Implicit none
  Character(len=64):: name
  Real(kind=kind(0.0d0))::a(3)
  Integer:: z(5) , k , ierr
  write(*,*) 'Input the name of xyz:'
  Read(*,*) name
  Open(12,file=trim(adjustl(name))//'.xyz')
  Open(13,file=trim(adjustl(name))//'1.xyz')
  read(12,'(a64)') name
  write(13,"(2x,a)") trim(name)
  Do
    read(12,*,iostat=ierr) k,name,a,z
    If(ierr/=0) exit
    write(13,"(2x,i4,2x,a2,2x,3F12.6,5(2x,I4))") &
      k , trim(name) , a , pack(z,z/=0)
  End Do
  Read(*,*)
  Close(12)
  Close(13)
End Program removezero