| 65 |
|
! vacancy parameter |
| 66 |
|
logical,public :: print_vac |
| 67 |
|
|
| 68 |
+ |
! parameters for Nose-Hoover |
| 69 |
+ |
real ( kind = DP ),public :: omega |
| 70 |
+ |
real ( kind = DP ),public :: zeta |
| 71 |
+ |
|
| 72 |
|
contains |
| 73 |
|
|
| 74 |
|
|
| 389 |
|
! . vacancy param |
| 390 |
|
read(unit=param_unit,fmt=*,iostat=read_error) print_vac |
| 391 |
|
if (read_error /= 0) then |
| 392 |
< |
write(error_unit,*) "Error reading paramfile print_vac line 29: " |
| 392 |
> |
write(error_unit,*) "Error reading paramfile print_vac line 30: " |
| 393 |
> |
if (present(this_error)) this_error = -1 |
| 394 |
> |
return |
| 395 |
> |
end if |
| 396 |
> |
|
| 397 |
> |
! . Nose hoover param |
| 398 |
> |
read(unit=param_unit,fmt=*,iostat=read_error) omega |
| 399 |
> |
if (read_error /= 0) then |
| 400 |
> |
write(error_unit,*) "Error reading paramfile omega line 31: " |
| 401 |
|
if (present(this_error)) this_error = -1 |
| 402 |
|
return |
| 403 |
|
end if |
