| 111 |
|
|
| 112 |
|
#ifdef IS_MPI |
| 113 |
|
me1 = atid_Row(atom1) |
| 114 |
< |
ul1(1) = eFrame_Row(7,atom1) |
| 115 |
< |
ul1(2) = eFrame_Row(8,atom1) |
| 114 |
> |
ul1(1) = eFrame_Row(3,atom1) |
| 115 |
> |
ul1(2) = eFrame_Row(6,atom1) |
| 116 |
|
ul1(3) = eFrame_Row(9,atom1) |
| 117 |
|
|
| 118 |
|
me2 = atid_Col(atom2) |
| 119 |
< |
ul2(1) = eFrame_Col(7,atom2) |
| 120 |
< |
ul2(2) = eFrame_Col(8,atom2) |
| 119 |
> |
ul2(1) = eFrame_Col(3,atom2) |
| 120 |
> |
ul2(2) = eFrame_Col(6,atom2) |
| 121 |
|
ul2(3) = eFrame_Col(9,atom2) |
| 122 |
|
#else |
| 123 |
|
me1 = atid(atom1) |
| 124 |
< |
ul1(1) = eFrame(7,atom1) |
| 125 |
< |
ul1(2) = eFrame(8,atom1) |
| 124 |
> |
ul1(1) = eFrame(3,atom1) |
| 125 |
> |
ul1(2) = eFrame(6,atom1) |
| 126 |
|
ul1(3) = eFrame(9,atom1) |
| 127 |
|
|
| 128 |
|
me2 = atid(atom2) |
| 129 |
< |
ul2(1) = eFrame(7,atom2) |
| 130 |
< |
ul2(2) = eFrame(8,atom2) |
| 129 |
> |
ul2(1) = eFrame(3,atom2) |
| 130 |
> |
ul2(2) = eFrame(6,atom2) |
| 131 |
|
ul2(3) = eFrame(9,atom2) |
| 132 |
|
#endif |
| 133 |
|
|
