KNLanczosResultAudit.cpp

Go to the documentation of this file.

#include "KNLanczosResultAudit.h"
#include "KNLanczosMethod.h"
#include "KNIPCCUtility.h"
#include "KNMPIManager.h"
#include "KNTimeMeasurement.h"

#ifdef _WIN32
#include <direct.h>
#else
#include <sys/stat.h>
#include <sys/types.h>
#endif


CKNLanczosResultAudit::CKNLanczosResultAudit()
{
}


CKNLanczosResultAudit::~CKNLanczosResultAudit()
{
}

void CKNLanczosResultAudit::AuditResult_EV(CKNMatrixOperation::CKNCSR *pCSR, CKNLanczosMethod::LPEIGENVALUE_RESULT lpResult, double fTolerance)
{
    unsigned int            i;
    char                    szBuffer[1024];
    bool                    bPass;

    if (NULL == lpResult || NULL == lpResult->pEigenVectorsForAMatrix)
        return;

    CKNIPCCUtility::ShowMsg("\n----------------------------------------\nEV Result\n\n");

    for (i = 0; i < lpResult->nEigenValueCount; i++)
    {
        bPass = false;
        CKNMatrixOperation::CKNVector   VAX, VRamdaX;

        VAX.SetSize(pCSR->GetColumnCount());
        VRamdaX.SetSize(pCSR->GetColumnCount());
        CKNMatrixOperation::MVMul(pCSR, &lpResult->pEigenVectorsForAMatrix[i], &VAX);
        VRamdaX = lpResult->pEigenVectorsForAMatrix[i];
        VRamdaX.ScalarMultiple(lpResult->pEigenValues[i]);

        VAX.MinusVector(&VRamdaX);
        double fResult = VAX.GetNorm();
        if (fabs(fResult) < fTolerance)
            bPass = true;

        sprintf(szBuffer, "EV[%2d] [AX - ramdaX: %20.20f] %s \n", i, fResult, bPass ? "OK" : "NG");
        CKNIPCCUtility::ShowMsg(szBuffer);

        VAX.Finalize();
        VRamdaX.Finalize();
    }
    CKNIPCCUtility::ShowMsg("----------------------------------------\n");
}

void CKNLanczosResultAudit::AuditResult_WF(CKNLanczosMethod::LPEIGENVALUE_RESULT lpResult, double fTolerance, unsigned int nWaveFunctionSize)
{
    unsigned int            i, j, k;
    char                    szBuffer[1024];
    bool                    bPass;
    CKNComplex              tempResult;

    if (NULL == lpResult || NULL == lpResult->pWaveFunctions)
        return;

    CKNIPCCUtility::ShowMsg("\n----------------------------------------\nWavefunction Result\n\n");

    for (i = 0; i < lpResult->nEigenValueCount; i++)
    {
        bPass = false;

        tempResult.SetComplexNumber(0, 0);
        for (j = 0; j < nWaveFunctionSize; j++)
        {
            tempResult = tempResult + lpResult->pWaveFunctions[i].GetAt(j);
        }

        if (fabs(1 - tempResult.GetNorm()) < fTolerance)
            bPass = true;

        sprintf(szBuffer, "WF[%2d] sum: [ %20.20f ] %s\n", i, tempResult.GetNorm(), bPass ? "OK" : "NG");
        CKNIPCCUtility::ShowMsg(szBuffer);
    }
    CKNIPCCUtility::ShowMsg("----------------------------------------\n");
}