forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13904 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -9,7 +9,7 @@
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#define STRING2(x) #x
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#define STRING(x) STRING2(x)
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// prints file and line number for error messages
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#define ERROR(x) __FILE__":"STRING(__LINE__)" "x
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#define ERROR(x) __FILE__ ":" STRING(__LINE__) " " x
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//#define FILELINE __FILE__+to_string(__LINE__)
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#define FILELINE __FILE__
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@ -310,7 +310,7 @@ namespace ATC
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default:
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throw ATC_Error("field not found in field_to_string");
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}
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};
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}
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/** string to field enum */
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inline FieldName string_to_field(const std::string & name)
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@ -395,7 +395,7 @@ namespace ATC
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return QUADRUPOLE_MOMENT;
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else
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throw ATC_Error(name + " is not a valid field");
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};
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}
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inline bool is_intrinsic(const FieldName & field_enum)
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{
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@ -410,7 +410,7 @@ namespace ATC
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|| field_enum==REFERENCE_POTENTIAL_ENERGY
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) return true;
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else return false;
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};
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}
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inline std::string field_to_intrinsic_name(const FieldName index)
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{
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@ -457,7 +457,7 @@ namespace ATC
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}
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return true;
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};
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}
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/** solver types */
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enum SolverType { DIRECT=0, ITERATIVE};
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@ -577,7 +577,7 @@ namespace ATC
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else if (dir == 'z') index = 2;
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else return false;
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return true;
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};
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}
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/** string to index */
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inline std::string index_to_string(const int &index)
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@ -586,7 +586,7 @@ namespace ATC
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else if (index==1) return "y";
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else if (index==2) return "z";
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return "unknown";
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};
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}
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/** string to index */
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inline bool string_to_index(const std::string &dim, int &index)
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@ -601,7 +601,7 @@ namespace ATC
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return false;
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return true;
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};
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}
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inline std::string print_mask(const Array2D<bool> & rhsMask)
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{
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@ -321,6 +321,6 @@ namespace ATC {
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};
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};
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}
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#endif
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@ -307,5 +307,5 @@ namespace ATC {
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};
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};
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}
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#endif
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@ -352,6 +352,6 @@ namespace ATC {
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};
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}; // namespace ATC
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} // namespace ATC
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#endif // FE_ELEMENT_H
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@ -707,6 +707,6 @@ namespace ATC {
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};
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}; // namespace ATC_Transfer
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} // namespace ATC_Transfer
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#endif // FE_MESH_H
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@ -78,7 +78,7 @@ struct TRIPLET { TRIPLET<T>(int _i=0, int _j=0, T _v=T(0)) : i(_i), j(_j), v(_v)
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#define STRING2(x) #x
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#define STRING(x) STRING2(x)
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// prints file and line number for error messages
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#define ERROR(x) __FILE__":"STRING(__LINE__)" "x
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#define ERROR(x) __FILE__ ":" STRING(__LINE__) " " x
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/******************************************************************************
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* BLAS and LAPACK definitions
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@ -106,7 +106,7 @@ extern double dlange_(char*,int*,int*,const double*,int*,double*);
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extern double dsygvd_(int*,char*,char*,int*,double*,int*,double*,int*,double*,double*,int*,int*,int*,int*);
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extern double dgesvd_(char*,char*,int*,int*,double*,int*,double*,double*,int*,double*,int*,double*,int*,int*);
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extern double dgesdd_(char*,char*,int*,int*,double*,int*,double*,double*,int*,double*,int*,double*,int*,int*);
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};
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}
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#endif
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// forward declarations of matrix and vector classes
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@ -46,6 +46,6 @@ namespace ATC {
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ATC_matrix::Array<std::pair<std::string,std::set<int> > > * nodeSets_;
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};
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}; // end namespace ATC
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} // end namespace ATC
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#endif
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@ -60,6 +60,6 @@ namespace ATC {
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};
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};
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}
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#endif
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@ -272,6 +272,8 @@ BondMatrixKernel::BondMatrixKernel(LammpsInterface * lammpsInterface,
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BondMatrix(lammpsInterface,pairMap,x,feMesh),
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kernelFunction_(kernelFunction)
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{
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if (kernelFunction_ == NULL)
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throw ATC_Error("No AtC kernel function initialized");
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};
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void BondMatrixKernel::reset(void) const
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{
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@ -317,5 +317,5 @@ namespace ATC
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SPAR_MAT stiffness_;
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};
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};
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}
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#endif
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@ -764,6 +764,6 @@ namespace ATC {
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};
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}
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#endif
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@ -104,5 +104,5 @@ class WeakEquation {
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};
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};
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}
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#endif
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@ -208,7 +208,7 @@ public:
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virtual void log_text(int level, const char *messtype, const char *messtext){
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if(descriptor!="") // descriptor is used as header
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printf("%s:\n",descriptor.c_str());
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if(messtype!="")
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if(string(messtype)!=string(""))
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printf("%s: ",messtype);
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printf("%s\n",messtext);
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}
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@ -317,7 +317,6 @@ public:
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virtual int init(size_t n, int smanaged=-1){
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size=n;
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return recmatrix<T>::init(n,n,smanaged);
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int managed=recmatrix<T>::parr.managed();
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}
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sqmatrix(size_t n):size(0){
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@ -152,20 +152,20 @@ struct Vector_Nt {
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Vector_Nt(const A *beg) {
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for (int i=0; i<N; i++, ++beg)
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v[i]=*beg;
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};
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}
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//e construct from another vector
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template <class A>
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Vector_Nt(const Vector_Nt<A,N>& v1) {
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for (int i=0; i<N; i++) v[i]=v1[i];
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};
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}
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//r Êîïèðóåò ñîäåðæèìîå âåêòîðà â it
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template <class A>
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void copy_to(A *beg) const {
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for (int i=0; i<N; i++, ++beg)
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*beg=v[i];
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};
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}
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//r ïîëó÷åíèå ýëåìåíòà
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inline T& operator[](int i) const { return (T&)v[i]; };
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inline vec_type vec_area(const Vector_2 &vect1, const Vector_2 &vect2) {
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return fabs(vect1[0]*vect2[1]-vect1[1]*vect2[0])/2;
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};
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}
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inline vec_type vec_area(const Vector_3 &vect1, const Vector_3 &vect2) {
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return (vect1%vect2).norm()/2;
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};
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}
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// remake for vec_type!
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@ -89,6 +89,7 @@ public:
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public:
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AWPMD_split():s_add(0),spl_add(0){}
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virtual ~AWPMD_split() {};
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///\en Prepares to setup a new system of particles using \ref add_ion(),
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