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@ -640,13 +640,14 @@ unsigned long I = SMat_index_1(i,j);
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unsigned long J = SMat_index_1(k,l);
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unsigned long J = SMat_index_1(k,l);
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//I,J act as indices of a NRSmat
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//I,J act as indices of a NRSmat
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#ifdef DEBUG
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#ifdef DEBUG
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if (*count != 1) laerror("lval (i,j,k,l) with count > 1 in fourindex_dense");
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if (*NRSMat<T>::count != 1) laerror("lval (i,j,k,l) with count > 1 in fourindex_dense");
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if (I<0 || I>=(unsigned long)nn || J<0 || J>=(unsigned long)nn) laerror("fourindex_dense index out of range");
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if (I<0 || I>=(unsigned long)NRSMat<T>::nn || J<0 || J>=(unsigned long)NRSMat<T>::nn) laerror("fourindex_dense index out of range");
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if (!NRSMat<T>::v) laerror("access to unallocated fourindex_dense");
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if (!NRSMat<T>::v) laerror("access to unallocated fourindex_dense");
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#endif
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#endif
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return NRSMat<T>::v[SMat_index(I,J)];
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return NRSMat<T>::v[SMat_index(I,J)];
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}
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}
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template<class T, class DUMMY>
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template<class T, class DUMMY>
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const T& fourindex_dense<twoelectronrealmullikan,T,DUMMY>::operator() (unsigned int i, unsigned int j, unsigned int k, unsigned int l) const
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const T& fourindex_dense<twoelectronrealmullikan,T,DUMMY>::operator() (unsigned int i, unsigned int j, unsigned int k, unsigned int l) const
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{
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{
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@ -654,7 +655,7 @@ unsigned long I = SMat_index_1(i,j);
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unsigned long J = SMat_index_1(k,l);
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unsigned long J = SMat_index_1(k,l);
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//I,J act as indices of a NRSmat
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//I,J act as indices of a NRSmat
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#ifdef DEBUG
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#ifdef DEBUG
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if (I<0 || I>=(unsigned long)nn || J<0 || J>=(unsigned long)nn) laerror("fourindex_dense index out of range");
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if (I<0 || I>=(unsigned long)NRSMat<T>::nn || J<0 || J>=(unsigned long)NRSMat<T>::nn) laerror("fourindex_dense index out of range");
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if (!NRSMat<T>::v) laerror("access to unallocated fourindex_dense");
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if (!NRSMat<T>::v) laerror("access to unallocated fourindex_dense");
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#endif
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#endif
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return NRSMat<T>::v[SMat_index(I,J)];
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return NRSMat<T>::v[SMat_index(I,J)];
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4
smat.h
4
smat.h
@ -542,14 +542,14 @@ public:
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inline const T& operator() (const int i, const int j) const
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inline const T& operator() (const int i, const int j) const
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{
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{
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#ifdef DEBUG
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#ifdef DEBUG
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if(i<=0||j<=0||i>nn||j>nn) laerror("index out of range in NRSMat_from1");
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if(i<=0||j<=0||i>NRSMat<T>::nn||j>NRSMat<T>::nn) laerror("index out of range in NRSMat_from1");
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#endif
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#endif
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return NRSMat<T>::v[SMat_index_1(i,j)];
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return NRSMat<T>::v[SMat_index_1(i,j)];
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}
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}
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inline T& operator() (const int i, const int j)
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inline T& operator() (const int i, const int j)
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{
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{
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#ifdef DEBUG
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#ifdef DEBUG
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if(i<=0||j<=0||i>nn||j>nn) laerror("index out of range in NRSMat_from1");
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if(i<=0||j<=0||i>NRSMat<T>::nn||j>NRSMat<T>::nn) laerror("index out of range in NRSMat_from1");
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#endif
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#endif
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return NRSMat<T>::v[SMat_index_1(i,j)];
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return NRSMat<T>::v[SMat_index_1(i,j)];
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}
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}
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