99 |
|
return NULL; |
100 |
|
} |
101 |
|
|
102 |
+ |
void printMe( void ){ |
103 |
+ |
|
104 |
+ |
std::cerr << "LinkedAtype " << name << ": ident = " << ident << "\n"; |
105 |
+ |
if( next != NULL ) next->printMe(); |
106 |
+ |
|
107 |
+ |
} |
108 |
+ |
|
109 |
|
void add( atomStruct &info ){ |
110 |
|
|
111 |
|
// check for duplicates |
147 |
|
info.dipole = dipole; |
148 |
|
info.w0 = w0; |
149 |
|
info.v0 = v0; |
150 |
+ |
info.ident = ident; |
151 |
|
info.last = 0; |
152 |
|
} |
153 |
|
|
742 |
|
recieveFrcStruct( &atomInfo, mpiAtomStructType ); |
743 |
|
} |
744 |
|
} |
745 |
+ |
|
746 |
|
#endif // is_mpi |
747 |
|
|
748 |
+ |
|
749 |
+ |
|
750 |
|
// call new A_types in fortran |
751 |
|
|
752 |
|
int isError; |