112 |
|
AtomCommIntRow->gather(idents, identsRow); |
113 |
|
AtomCommIntColumn->gather(idents, identsCol); |
114 |
|
|
115 |
+ |
// allocate memory for the parallel objects |
116 |
+ |
AtomRowToGlobal.resize(nAtomsInRow_); |
117 |
+ |
AtomColToGlobal.resize(nAtomsInCol_); |
118 |
+ |
cgRowToGlobal.resize(nGroupsInRow_); |
119 |
+ |
cgColToGlobal.resize(nGroupsInCol_); |
120 |
+ |
massFactorsRow.resize(nAtomsInRow_); |
121 |
+ |
massFactorsCol.resize(nAtomsInCol_); |
122 |
+ |
pot_row.resize(nAtomsInRow_); |
123 |
+ |
pot_col.resize(nAtomsInCol_); |
124 |
+ |
|
125 |
|
AtomCommIntRow->gather(AtomLocalToGlobal, AtomRowToGlobal); |
126 |
|
AtomCommIntColumn->gather(AtomLocalToGlobal, AtomColToGlobal); |
127 |
|
|