通过3点坐标计算角度

978142355

想在输入文件中，输入行数，通过行数中的坐标，然后自动获得角度，代码已经附上，求助大家实现？

[Fortran] 纯文本查看 复制代码

    program angle
    implicit none
    real::x(3),y(3),z(3),angle,A,B,C,D
    integer::i,j,k

    write(*,*) 'Input the name of xyz:(e.g. a)'
    read(*,*) name
    name1=trim(name)//'.xyz'
    open(12,file=name1)
    open(13,file='result.txt')
    do i=1,3
        write(*,"(I1)") 'Input the atom number',i ,':(e.g.1)'
        read(*,*) j
        write(*,*)
        if (j==1) then
            read(12,"(11x,3(f12.6)") xi,yi,zi
        else
            do k=1,j-1
                write(*,*)
            end do
        end if
        read(12,"(11x,3(f12.6))") xi,yi,zi
        rewind(12)
    end do

    A=(x1-x2)+(y1-y2)+(z1-z2) //!first vector
    B=(x3-x2)+(y3-y2)+(z3-z2) //!second vector
    C=dsqrt((x1-x2)**2+(y1-y2)**2+(z1-z2)**2) //!quantities of first vector
    D=dsqrt((x3-x2)**2+(y3-y2)**2+(z3-z2)**2) //!quantities of second vector
    angle=acos(A*B/C/D)
    write(13,"(a,f12.4)") "The angle is:",angle/3.141592653589793238462d0*180
    end program

vvt

[Fortran] 纯文本查看 复制代码

Program www_fcode_cn
  Implicit None
  Real(kind=kind(0.0d0))::x(3),y(3),z(3),angle,A,B,C,D
  Integer::i,k
  Character(len=30) :: cstr
  write(*,*) 'Input the name of xyz:(e.g. a)'
  read(*,*) cstr
  cstr=trim(cstr)//'.xyz'
  open(12,file=cstr)
  read(12,*)
  open(13,file='result.txt')
  do i=1,3
    read(12,*) k , cstr , x(i),y(i),z(i)    
  end do
  A=(x(1)-x(2))+(y(1)-y(2))+(z(1)-z(2)) !//!first vector
  B=(x(3)-x(2))+(y(3)-y(2))+(z(3)-z(2)) !//!second vector
  C=sqrt((x(1)-x(2))**2+(y(1)-y(2))**2+(z(1)-z(2))**2) !//!quantities of first vector
  D=sqrt((x(3)-x(2))**2+(y(3)-y(2))**2+(z(3)-z(2))**2) !//!quantities of second vector
  angle=acos(A*B/C/D)
  write(13,"(a,f12.4)") "The angle is:",angle/3.141592653589793238462d0*180
end program www_fcode_cn

978142355

vvt 发表于 2016-1-14 11:45
[mw_shl_code=fortran,true]Program www_fcode_cn
  Implicit None
  Real(kind=kind(0.0d0))::x(3),y(3),z ...

非常感谢你给的代码，不过这并不是我所需要的，因为我打算要的是手动输入任意3行（有坐标的），然后给出角度，现在角度部分是没什么问题，但是主要是前面任意给出3行的那里不太清楚该如何去写。

vvt

[Fortran] 纯文本查看 复制代码

Program www_fcode_cn
  Implicit None
  Real(kind=kind(0.0d0))::x(3),y(3),z(3),angle,A,B,C,D
  Integer::i,j,k
  Character(len=30) :: cstr
  write(*,*) 'Input the name of xyz:(e.g. a)'
  read(*,*) cstr
  cstr=trim(cstr)//'.xyz'
  open(12,file=cstr)
  read(12,*)
  open(13,file='result.txt')
  do i=1,3
    write(*,"(a,i1,a)") 'Input the atom number',i ,':(e.g.1)'
    read(*,*) j
    Do k = 1 , j-1
      read(12,*)
    End Do
    read(12,*) k , cstr , x(i),y(i),z(i)    
    rewind(12)
    read(12,*)
  end do
  A=(x(1)-x(2))+(y(1)-y(2))+(z(1)-z(2)) !//!first vector
  B=(x(3)-x(2))+(y(3)-y(2))+(z(3)-z(2)) !//!second vector
  C=sqrt((x(1)-x(2))**2+(y(1)-y(2))**2+(z(1)-z(2))**2) !//!quantities of first vector
  D=sqrt((x(3)-x(2))**2+(y(3)-y(2))**2+(z(3)-z(2))**2) !//!quantities of second vector
  angle=acos(A*B/C/D)
  write(13,"(a,f12.4)") "The angle is:",angle/3.141592653589793238462d0*180
end program www_fcode_cn

978142355

vvt 发表于 2016-1-14 14:00
[mw_shl_code=fortran,true]Program www_fcode_cn
  Implicit None
  Real(kind=kind(0.0d0))::x(3),y(3),z ...

非常感谢你，完美的解决了我的问题。

ninepss

有个小问题想问一下，这段程序的A和B是代表什么意思，怎么感觉好像写错了

Polaris.

ninepss 发表于 2024-6-11 21:23
有个小问题想问一下，这段程序的A和B是代表什么意思，怎么感觉好像写错了
...

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