Re: [AMBER-Developers] Scalar vs. array mix-up in QMGB

From: case <case.biomaps.rutgers.edu>
Date: Thu, 11 Feb 2010 17:29:34 -0500

On Thu, Feb 11, 2010, Ben Roberts wrote:
>
> call subroutine qmgb_calc_mm_pot ( ...
> qmmm_scratch%qm_real_scratch(1,natom),
> qmmm_scratch%qm_real_scratch(natom+1,2*natom) ... )

I think you want scratch(1:natom) here, not "1,natom". Be sure to have
maximum warnings set, because lots depends on what interface the subroutine
sees.

....dac


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Received on Thu Feb 11 2010 - 15:00:02 PST
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