Révision 3
| utils/Xyz2Scan.f (revision 3) | ||
|---|---|---|
| 137 | 137 |
READ(11,*) nnn |
| 138 | 138 |
close(11) |
| 139 | 139 |
|
| 140 |
|
|
| 140 | 141 |
if (nnn.GT.MaxNat) THEN |
| 141 | 142 |
WRITE(*,*) "Sorry but your system has too many atoms" |
| 142 | 143 |
WRITE(*,*) "Change the value of MaxNat in the source file" |
| ... | ... | |
| 146 | 147 |
STOP |
| 147 | 148 |
END IF |
| 148 | 149 |
|
| 150 |
Nat=nnn |
|
| 151 |
|
|
| 149 | 152 |
open(14,file='list') |
| 150 | 153 |
Type="d" |
| 151 | 154 |
DO WHILE (Type.ne."E") |
| utils/Xyz2Path.f (revision 3) | ||
|---|---|---|
| 130 | 130 |
! write(*,*) I,Atoms(I),Mass(I),geos1(:,I) |
| 131 | 131 |
END DO |
| 132 | 132 |
|
| 133 |
Nat=nnn |
|
| 134 |
|
|
| 133 | 135 |
if (FExist) THEN |
| 134 | 136 |
open(14,file='list') |
| 135 | 137 |
Type="d" |
Formats disponibles : Unified diff