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C++ Wavefunction::resize方法代码示例

本文整理汇总了C++中Wavefunction::resize方法的典型用法代码示例。如果您正苦于以下问题:C++ Wavefunction::resize方法的具体用法?C++ Wavefunction::resize怎么用?C++ Wavefunction::resize使用的例子?那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在Wavefunction的用法示例。


在下文中一共展示了Wavefunction::resize方法的2个代码示例,这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞,您的评价将有助于系统推荐出更棒的C++代码示例。

示例1: u

void SpinAdapted::operatorfunctions::TensorMultiply(const Baseoperator<Matrix>& a, const Baseoperator<Matrix>& b, const StateInfo *brastateinfo, const StateInfo *ketstateinfo, const Wavefunction& c, Wavefunction& v, const SpinQuantum opQ, bool aIsLeftOp, double scale)
{
  const int leftBraOpSz = brastateinfo->leftStateInfo->quanta.size ();
  const int leftKetOpSz = ketstateinfo->leftStateInfo->quanta.size ();
  const int rightBraOpSz = brastateinfo->rightStateInfo->quanta.size ();
  const int rightKetOpSz = ketstateinfo->rightStateInfo->quanta.size ();

  const StateInfo* lbraS = brastateinfo->leftStateInfo, *rbraS = brastateinfo->rightStateInfo;
  const StateInfo* lketS = ketstateinfo->leftStateInfo, *rketS = ketstateinfo->rightStateInfo;

  const char conjC = (aIsLeftOp) ? 'n' : 't';

  const Baseoperator<Matrix>& leftOp = (conjC == 'n') ? a : b; // an ugly hack to support the release memory optimisation
  const Baseoperator<Matrix>& rightOp = (conjC == 'n') ? b : a;
  const char leftConj = (conjC == 'n') ? a.conjugacy() : b.conjugacy();
  const char rightConj = (conjC == 'n') ? b.conjugacy() : a.conjugacy();

  Wavefunction u;
  u.resize(leftBraOpSz*leftKetOpSz, rightKetOpSz);

  int totalmem =0;

  {
    for (int lQrQPrime = 0; lQrQPrime<leftBraOpSz*rightKetOpSz; ++lQrQPrime)
    {
      int rQPrime = lQrQPrime%rightKetOpSz, lQ = lQrQPrime/rightKetOpSz;
	for (int lQPrime = 0; lQPrime < leftKetOpSz; lQPrime++)
	  if (leftOp.allowed(lQ, lQPrime) && c.allowed(lQPrime, rQPrime))
	  {
	    int lindex = lQ*leftKetOpSz+lQPrime;
	    u.allowed(lindex, rQPrime) = true;

	    u(lindex,rQPrime).ReSize(lbraS->getquantastates(lQ), rketS->getquantastates(rQPrime));
	    double factor = leftOp.get_scaling(lbraS->quanta[lQ], lketS->quanta[lQPrime]);
	    MatrixMultiply (leftOp.operator_element(lQ, lQPrime), leftConj, c.operator_element(lQPrime, rQPrime), 'n',
			    u.operator_element(lindex, rQPrime), factor, 0.);	      

	  }
    }
  }

  {
    for (int lQrQ = 0; lQrQ<leftBraOpSz*rightBraOpSz; ++lQrQ)
    {
      int rQ = lQrQ%rightBraOpSz, lQ=lQrQ/rightBraOpSz;
	if (v.allowed(lQ, rQ))
	  for (int rQPrime = 0; rQPrime < rightKetOpSz; rQPrime++)
	    if (rightOp.allowed(rQ, rQPrime))
	      for (int lQPrime = 0; lQPrime < leftKetOpSz; lQPrime++)
		if (leftOp.allowed(lQ, lQPrime) && u.allowed(lQ*leftKetOpSz+lQPrime, rQPrime))
		{
		  int lindex = lQ*leftKetOpSz+lQPrime;
		  double factor = scale;
      //if(dmrginp.spinAdapted()){
      //ninej has already considered non spin-adapted
      //it is just 1 in nonspin-adapted

		  factor *= dmrginp.get_ninej()(lketS->quanta[lQPrime].get_s().getirrep(), rketS->quanta[rQPrime].get_s().getirrep() , c.get_deltaQuantum(0).get_s().getirrep(), 
						leftOp.get_spin().getirrep(), rightOp.get_spin().getirrep(), opQ.get_s().getirrep(),
						lbraS->quanta[lQ].get_s().getirrep(), rbraS->quanta[rQ].get_s().getirrep() , v.get_deltaQuantum(0).get_s().getirrep());
      //}
		  factor *= Symmetry::spatial_ninej(lketS->quanta[lQPrime].get_symm().getirrep() , rketS->quanta[rQPrime].get_symm().getirrep(), c.get_symm().getirrep(), 
				       leftOp.get_symm().getirrep(), rightOp.get_symm().getirrep(), opQ.get_symm().getirrep(),
				       lbraS->quanta[lQ].get_symm().getirrep() , rbraS->quanta[rQ].get_symm().getirrep(), v.get_symm().getirrep());
		  int parity = rightOp.get_fermion() && IsFermion(lketS->quanta[lQPrime]) ? -1 : 1;
		  factor *=  rightOp.get_scaling(rbraS->quanta[rQ], rketS->quanta[rQPrime]);
		  MatrixMultiply (u.operator_element(lindex, rQPrime), 'n',
				  rightOp(rQ, rQPrime), TransposeOf(rightOp.conjugacy()), v.operator_element(lQ, rQ), factor*parity);
		}
    }
  }
	      
}
开发者ID:chrinide,项目名称:Block,代码行数:73,代码来源:operatorfunctions.C

示例2: assert

void SpinAdapted::operatorfunctions::TensorMultiply(const SpinBlock *ablock, const Baseoperator<Matrix>& a, const Baseoperator<Matrix>& b, const SpinBlock *cblock, Wavefunction& c, Wavefunction& v, const SpinQuantum opQ, double scale)
{
  const int leftOpSz = cblock->get_leftBlock()->get_stateInfo().quanta.size ();
  const int rightOpSz = cblock->get_rightBlock()->get_stateInfo().quanta.size ();

  const StateInfo* rS = cblock->get_stateInfo().rightStateInfo, *lS = cblock->get_stateInfo().leftStateInfo;

  assert (cblock->get_leftBlock() == ablock || cblock->get_rightBlock() == ablock);

  const char conjC = (cblock->get_leftBlock() == ablock) ? 'n' : 't';


  const Baseoperator<Matrix>& leftOp = (conjC == 'n') ? a : b; // an ugly hack to support the release memory optimisation
  const Baseoperator<Matrix>& rightOp = (conjC == 'n') ? b : a;
  const char leftConj = (conjC == 'n') ? a.conjugacy() : b.conjugacy();
  const char rightConj = (conjC == 'n') ? b.conjugacy() : a.conjugacy();

  Wavefunction u;
  u.resize(leftOpSz*leftOpSz, rightOpSz);

  int totalmem =0;

  {
    for (int lQrQPrime = 0; lQrQPrime<leftOpSz*rightOpSz; ++lQrQPrime)
    {
      int rQPrime = lQrQPrime%rightOpSz, lQ = lQrQPrime/rightOpSz;
	for (int lQPrime = 0; lQPrime < leftOpSz; lQPrime++)
	  if (leftOp.allowed(lQ, lQPrime) && c.allowed(lQPrime, rQPrime))
	  {
	    int lindex = lQ*leftOpSz+lQPrime;
	    u.allowed(lindex, rQPrime) = true;
	    u(lindex,rQPrime).ReSize(lS->getquantastates(lQ), rS->getquantastates(rQPrime));
	    double factor = leftOp.get_scaling(lS->quanta[lQ], lS->quanta[lQPrime]);
	    MatrixMultiply (leftOp.operator_element(lQ, lQPrime), leftConj, c.operator_element(lQPrime, rQPrime), 'n',
			    u.operator_element(lindex, rQPrime), factor, 0.);	      
	  }
    }
  }

  {
    for (int lQrQ = 0; lQrQ<leftOpSz*rightOpSz; ++lQrQ)
    {
      int rQ = lQrQ%rightOpSz, lQ=lQrQ/rightOpSz;
	if (v.allowed(lQ, rQ))
	  for (int rQPrime = 0; rQPrime < rightOpSz; rQPrime++)
	    if (rightOp.allowed(rQ, rQPrime))
	      for (int lQPrime = 0; lQPrime < leftOpSz; lQPrime++)
		if (leftOp.allowed(lQ, lQPrime) && u.allowed(lQ*leftOpSz+lQPrime, rQPrime))
		{
		  int lindex = lQ*leftOpSz+lQPrime;
		  double factor = scale;
		  factor *= dmrginp.get_ninej()(lS->quanta[lQPrime].get_s(), rS->quanta[rQPrime].get_s() , c.get_deltaQuantum().get_s(), 
						leftOp.get_spin(), rightOp.get_spin(), opQ.get_s(),
						lS->quanta[lQ].get_s(), rS->quanta[rQ].get_s() , v.get_deltaQuantum().get_s());
		  factor *= Symmetry::spatial_ninej(lS->quanta[lQPrime].get_symm().getirrep() , rS->quanta[rQPrime].get_symm().getirrep(), c.get_symm().getirrep(), 
				       leftOp.get_symm().getirrep(), rightOp.get_symm().getirrep(), opQ.get_symm().getirrep(),
				       lS->quanta[lQ].get_symm().getirrep() , rS->quanta[rQ].get_symm().getirrep(), v.get_symm().getirrep());
		  int parity = rightOp.get_fermion() && IsFermion(lS->quanta[lQPrime]) ? -1 : 1;
		  factor *=  rightOp.get_scaling(rS->quanta[rQ], rS->quanta[rQPrime]);
		  MatrixMultiply (u.operator_element(lindex, rQPrime), 'n',
				  rightOp(rQ, rQPrime), TransposeOf(rightOp.conjugacy()), v.operator_element(lQ, rQ), factor*parity);
		}
    }
  }
	      
}
开发者ID:qiaoni-chen,项目名称:Block,代码行数:66,代码来源:operatorfunctions.C


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