mainfrm.h

分子动力学的VC源码,可以方面的用语化学与材料计算方面的开发,希望有用.

// MainFrm.h : interface of the CMainFrame class
//
/////////////////////////////////////////////////////////////////////////////

#if !defined(AFX_MAINFRM_H__85A3604F_5A87_4233_A39F_F4AD0D4F009E__INCLUDED_)
#define AFX_MAINFRM_H__85A3604F_5A87_4233_A39F_F4AD0D4F009E__INCLUDED_

#if _MSC_VER > 1000
#pragma once
#endif // _MSC_VER > 1000

class CMainFrame : public CMDIFrameWnd
{
	DECLARE_DYNAMIC(CMainFrame)
public:
	CMainFrame();

// Attributes
public:
	double r[10000][4],f[10000][4],v[10000][4],acc[10000][4];
	double r0[10000][4];
	double l,sigma,aconstl,aconste,aconstf,mass,kb,rcd,d;
	double f1;
	int node,k1,k2,k3,k4,k5,k6,k7;
	int listjd[10000][500],max[10000],pain[10000],painxy[10000],painxy2[10000],painxy3[10000],plane[10000],plane2[10000],plane3[10000];
	int tnx,tny,tnz,ic,nloop;
	double wlf,sumwlf,wlr;
		




	FILE *fp,*fp1,*fp2,*fp3,*fp4,*fpp,*fp5,*fp6,*fp7;

// Operations
public:

// Overrides
	// ClassWizard generated virtual function overrides
	//{{AFX_VIRTUAL(CMainFrame)
	virtual BOOL PreCreateWindow(CREATESTRUCT& cs);
	//}}AFX_VIRTUAL

// Implementation
public:
	void intev3();
	void force3();
	void intev2();
	void force2();
	void force1();
	void intev1();
	void sintev();
	void intev();
	void force();
	void list();
	virtual ~CMainFrame();
#ifdef _DEBUG
	virtual void AssertValid() const;
	virtual void Dump(CDumpContext& dc) const;
#endif

protected:  // control bar embedded members
	CStatusBar  m_wndStatusBar;
	CToolBar    m_wndToolBar;

// Generated message map functions
protected:
	//{{AFX_MSG(CMainFrame)
	afx_msg int OnCreate(LPCREATESTRUCT lpCreateStruct);
	afx_msg void Onmodel();
	afx_msg void Oninit();
	afx_msg void Onsimulation();
	afx_msg void Onoutshow();
	afx_msg void Oncontinext();
	afx_msg void Oncontinsimu();
	afx_msg void Ontwosidef();
	afx_msg void Onrsimulation();
	afx_msg void Onconrnext();
	//}}AFX_MSG
	DECLARE_MESSAGE_MAP()
};

/////////////////////////////////////////////////////////////////////////////

//{{AFX_INSERT_LOCATION}}
// Microsoft Visual C++ will insert additional declarations immediately before the previous line.

#endif // !defined(AFX_MAINFRM_H__85A3604F_5A87_4233_A39F_F4AD0D4F009E__INCLUDED_)