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mkluowen

铜虫 (小有名气)

[求助] 求高手修正

新手,这段程序运行后没设想中的结果,求哪位高手给修改一下。十万火急

Private Sub Form_Click()
Dim ix%, iy%, iz%, nx%, ny%, nz%, N01x#, N01y#, N01z#, C0x1#, C0y1#, C01z#
Dim baindex01, baindex02, natome, namol, index0, index1 As Integer
    baindex01 = 1
    baindex02 = 2
    natom = 0
    namol = 0
    index0 = 1
    index1 = 2
    nd01 = 0
    nb01 = 0
    na01 = 0
    natom = 0
    nmole = 0
    N01x = 0
    N01y = 0
    N01z = 0
    C01x = 0.8773
    C01y = -0.5773
    C01x = 0.6773
Dim boxx, boxy, boxz As Double
    boxx = 4.91
    boxy = 4.91
    boxz = 4.91
    Open "E:\NaCl.dat" For Output As 1
Dim Na01x(), Na01y(), Na01z(), Cl01x(), Cl01y(), Cl01z() As Double
nx = Val(InputBox("输入nx", "nx must be integer and 0<nx<100", "1"  ))
ny = Val(InputBox("输入ny", "ny must be integer and 0<ny<100", "1" ))
nz = Val(InputBox("输入nz", "nz must be integer and 0<nz<100", "1" ))

ReDim Na01x(nx), Na01y(ny), Na01z(nz), Cl01x(nx), Cl01y(ny), Cl01z(nz)
    For ix = 1 To nx
    For iy = 1 To ny
    For iz = 1 To nz
    Na01x(ix) = N01x + (ix - 1) * boxx
    Na01y(iy) = N01y + (iy - 1) * boxy
    Na01z(iz) = N01z + (iz - 1) * boxz
    Cl01x(ix) = C01x + (ix - 1) * boxx
    Cl01y(iy) = C01y + (iy - 1) * boxy
    Cl01z(iz) = C01z + (iz - 1) * boxz
    Write #1, natom, namol + 1, "1", Na01x(ix), Na01y(iy), Na01z(iz)
    Write #1, natom, namol + 1, "2", Cl01x(ix), Cl01y(iy), Cl01z(iz)
    Next iz
    Next iy
    Next ix
    Close #1
   
    End Sub

[ Last edited by mkluowen on 2013-5-5 at 10:11 ]
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ausir

木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★
mkluowen: 金币+5, ★★★很有帮助 2013-05-16 15:48:50
不是很清楚你想计算出怎样的结果。 但是这段程序的语法上并没有错什么。可以稍作更改的是变量定义语句,就是把所有的变量都必须声明,而不是只定义一行中的最后一个。这个采用Dim 是使用%,#或Integer, Double等没有区别。

Private Sub UserForm_Click()
Dim ix%, iy%, iz%, nx%, ny%, nz%, N01x#, N01y#, N01z#, C0x1#, C0y1#, C01z#
Dim baindex01 As Integer, baindex02 As Integer, natome As Integer, namol As Integer, index0 As Integer, index1 As Integer
Dim boxx#, boxy#, boxz As Double
Dim Na01x#(), Na01y#(), Na01z#(), Cl01x#(), Cl01y#(), Cl01z() As Double
   
baindex01 = 1
baindex02 = 2
natom = 0
namol = 0
index0 = 1
index1 = 2
   
nd01 = 0
nb01 = 0
na01 = 0
natom = 0
nmole = 0
   
N01x = 0
N01y = 0
N01z = 0

C01x = 0.8773
C01y = -0.5773
C01x = 0.6773
   
boxx = 4.91
boxy = 4.91
boxz = 4.91

Open "E:\NaCl.dat" For Output As 1
   
nx = Val(InputBox("输入nx", "nx must be integer and 0<nx<100", "1")
ny = Val(InputBox("输入ny", "ny must be integer and 0<ny<100", "1")
nz = Val(InputBox("输入nz", "nz must be integer and 0<nz<100", "1")

ReDim Na01x(nx), Na01y(ny), Na01z(nz), Cl01x(nx), Cl01y(ny), Cl01z(nz)
   
For ix = 1 To nx
    For iy = 1 To ny
        For iz = 1 To nz
            Na01x(ix) = N01x + (ix - 1) * boxx
            Na01y(iy) = N01y + (iy - 1) * boxy
            Na01z(iz) = N01z + (iz - 1) * boxz
            Cl01x(ix) = C01x + (ix - 1) * boxx
            Cl01y(iy) = C01y + (iy - 1) * boxy
            Cl01z(iz) = C01z + (iz - 1) * boxz
            
            Write #1, natom, namol + 1, "1", Na01x(ix), Na01y(iy), Na01z(iz)
            Write #1, natom, namol + 1, "2", Cl01x(ix), Cl01y(iy), Cl01z(iz)
        Next iz
    Next iy
Next ix

Close #1

MsgBox "Done"
   
End Sub

这个好像是计算了一个立方体的顶点坐标和平移后的坐标。
2楼2013-05-14 13:13:22
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