update the README for USER-CGSDK

See the doc pages for these commands for details.

There are example scripts for using this package in

examples/USER/cg-cmm.

examples/USER/cgsdk

This is the second generation implementation reducing the the clutter

of the previous version. For many systems with long range

electrostatics, it will be faster to use pair_style hybrid/overlay

with lj/sdk and coul/long instead of the combined lj/sdk/coul/long

style, since the number of charged atom types is usually small.  To

exploit this property, the use of the kspace_style pppm/cg is

recommended over regular pppm. For all new styles, input file backward

compatibility is provided.  The old implementation is still available

through appending the /old suffix. These will be discontinued and

removed after the new implementation has been fully validated.

The current version of this package should be considered beta

quality. The CG potentials work correctly for "normal" situations, but

have not been testing with all kinds of potential parameters and

simuation systems.

style, since the number of charged atom types is usually small.

To exploit this property, the use of the kspace_style pppm/cg is

recommended over regular pppm.

The person who created this package is Axel Kohlmeyer at Temple U

(akohlmey at gmail.com).  Contact him directly if you have questions.

Thanks for contributions, support and testing goes to

Wataru Shinoda (AIST, Tsukuba)

Wataru Shinoda (Nagoya University)

Russell DeVane (Procter & Gamble)

Michael L. Klein (CMM / U Penn, Philadelphia)

Michael L. Klein (Temple University, Philadelphia)

Balasubramanian Sundaram (JNCASR, Bangalore)

version: 0.99 / 2011-11-29

version: 1.0 / 2017-04-26