[gmx-developers] table exclusion in electrostatics
spoel at xray.bmc.uu.se
Wed Jul 2 22:38:34 CEST 2003
On Wed, 2003-07-02 at 22:24, Anjan Raghunathan wrote:
> If I need to exclude the use of tables for calculating electrostatics and include my own function for that, which function call(s) do I need to disable?
> I am planning to use a separate switch for this electrostatic calculating function(by adding an enumerator to the already existing PPPM,PME...etc). Any suggestions on how I would go about this?
you need to check everywhere that the variable forecrec->eel_type is
used (not just in force.c).
Are you sure that you cannot use the normal table functionality?
> Anjan V. Raghunathan
> Graduate Research Assistant
> Computational Electronics Group
> 3213 Beckman Institute,
> Univ. of Illinois at Urbana-Champaign.
> E-mail:araghuna at uiuc.edu
> Off: 217-244-1964
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