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 |