[Fortran] 纯文本查看 复制代码
do i = 1,atom
ww=dd(i,1)
rr=0
do e = 1,ppoint
if (dx(i,e)==10.and.dy(i,e)==10.and.dz(i,e)==10) then
ww=ww-1
else
rr=rr+1
qx(i,r)=dx(i,e)
qy(i,r)=dy(i,e)
qz(i,r)=dz(i,e)
! print *,qx(i,r) 输出 0.00000000 0.250000000
! print *,qy(i,r) 输出 0.00000000 0.250000000
! print *,qz(i,r) 输出 -0.00000000 0.250000000
end if
end do
dd(i,1)=rr
print *,dd(i,1)
end do
do i = 1,atom
do e = 1,rr
print *,qx(i,e) 输出 2.33264851E-38 2.33264851E-38
print *,qy(i,e) 输出 2.33264851E-38 2.33264851E-38
print *,qz(i,e) 输出 2.33264851E-38 2.33264851E-38
end do
end do