On Sat, Aug 12, 2017 at 9:57 PM, Robert Molt <
r.molt.chemical.phys...@gmail.com> wrote:
below is another file I used for calculation (...), which ran just fine. In
> this one, I did not use quotes around many of the items in and it
> ran just fine.
>
maybe your compiler is in a good mood. Mine
If the character string only contains letters, many compilers will read it
also without the quotes. But putting the quotes do no harm.
Kind regards
--
Lorenzo Paulatto
Written on a virtual keyboard with real fingers
On Aug 12, 2017 21:57, "Robert Molt"
Good evening,
I am confused on the rules for the quotes. The below is another file I
used for calculation (a vx-relax, which is why I left some of those
fields for the previously posted input file), which ran just fine. In
this one, I did not use quotes around many of the items in and
it
On Sat, Aug 12, 2017 at 9:39 PM, Robert Molt <
r.molt.chemical.phys...@gmail.com> wrote:
>
> I am encountering an error I know not how to resolve as a namelist error
> (Error in routine read_namelists (19):). I do not believe I lack any
> commas
you lack for sure some " or ' here:
Hi Robert,
You need only for
* 'vc-relax' or 'vc-md.*
You don't need that name list for 'relax' calculation.
Regards,
Isaiah
On Sat, Aug 12, 2017 at 8:39 PM, Robert Molt <
r.molt.chemical.phys...@gmail.com> wrote:
> Good evening,
>
> I am encountering an error I know not how to resolve as a