[ESPResSo-devel] Default configuration

[Olaf Lenz]

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Hello!

As ESPResSo is currently on the edge of becoming more user oriented (new
mailing lists, User's Guide, changed download...), Kai has suggested
that we should extend the default configuration of ESPResSo, i.e. the
configuration that is used when no myconfig-file has been prepared.
Currently, only the features ELECTROSTATICS and LENNARD_JONES are
activated in this case, which allows only for the most basic simulations
to be performed.

I would propose to use the following features in a new, extended default
configuration:
/* global features */
#define PARTIAL_PERIODIC
#define ELECTROSTATICS
#define EXTERNAL_FORCES
#define CONSTRAINTS
#define EXCLUSIONS
#define COMFORCE
#define COMFIXED
#define NPT

/* potentials */
#define TABULATED
#define LENNARD_JONES
#define LENNARD_JONES_GENERIC
#define MORSE
#define LJCOS
#define LJCOS2
#define BUCKINGHAM
#define SOFT_SPHERE
#define BOND_ANGLE_HARMONIC

#define MPI_CORE
#define FORCE_CORE

Does anyone object to making this the new default configuration?

Best regards
        Olaf


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