| 104 |
|
|
| 105 |
|
call InitializeForceGlobals(natoms, thisStat) |
| 106 |
|
if (thisStat /= 0) then |
| 107 |
+ |
write(default_error,*) "SimSetup: InitializeForceGlobals error" |
| 108 |
|
status = -1 |
| 109 |
|
return |
| 110 |
|
endif |
| 111 |
|
|
| 112 |
|
call InitializeSimGlobals(thisStat) |
| 113 |
|
if (thisStat /= 0) then |
| 114 |
+ |
write(default_error,*) "SimSetup: InitializeSimGlobals error" |
| 115 |
|
status = -1 |
| 116 |
|
return |
| 117 |
|
endif |
| 169 |
|
enddo |
| 170 |
|
#endif |
| 171 |
|
|
| 170 |
– |
!! Create neighbor lists |
| 171 |
– |
call expandNeighborList(nComponents, thisStat) |
| 172 |
– |
if (thisStat /= 0) then |
| 173 |
– |
status = -1 |
| 174 |
– |
return |
| 175 |
– |
endif |
| 172 |
|
|
| 173 |
|
|
| 174 |
|
do i = 1, nExcludes_Local |