update the PEG-C12E8 CG-CMM example for current LAMMPS version
4dae1d2d3b5d
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Apr 5 2014, 08:41.

Description

update the PEG-C12E8 CG-CMM example for current LAMMPS version

LAMMPS can now read compressed data files and also specify the
potential parameters in the data file for lj/sdk as i,j-pairs.
We also include the style hints, but since we use two angle style
variants that hint was edited out, so there is no warning.

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Apr 5 2014, 08:41

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS84ee1efa3ee9: Merge remote-tracking branch 'lammps-ro/master' into lammps-icms

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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS4dae1d2d3b5d: update the PEG-C12E8 CG-CMM example for current LAMMPS version (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Apr 5 2014, 08:41

Changes (10)

				Path
	M			examples/USER/cg-cmm/peg-verlet/data.pegc12e8.gz
	M			examples/USER/cg-cmm/peg-verlet/in.pegc12e8
	M			examples/USER/cg-cmm/peg-verlet/in.pegc12e8-angle
	D			examples/USER/cg-cmm/peg-verlet/in.pegc12e8-omp
	M			examples/USER/cg-cmm/peg-verlet/log.pegc12e8
	M			examples/USER/cg-cmm/peg-verlet/log.pegc12e8-angle
	D			examples/USER/cg-cmm/peg-verlet/parm.pegc12e8
	D			examples/USER/cg-cmm/peg-verlet/parm.pegc12e8-angle
	D			examples/USER/cg-cmm/peg-verlet/parm.pegc12e8-omp
	D			examples/USER/cg-cmm/peg-verlet/pegc12e8.psf.gz