lammps/dreiding at 2c9dfa3ea73c2020d8ceb3138f62e202372a2a4b - lammps - Gitea of icode group

ICODE-ADC/lammps

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History

Axel Kohlmeyer 37289f7476 update log files for dipole and dreiding example inputs. add running some MD steps for dreiding

2018-11-28 16:07:12 -05:00

..

ch3oh.box.dreiding.bgf

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7062 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2011-10-10 16:33:07 +00:00

ch3oh.box.dreiding.cerius2.eng.dat

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7062 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2011-10-10 16:33:07 +00:00

data.dreiding

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11376 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2014-01-29 15:32:31 +00:00

in.dreiding

update log files for dipole and dreiding example inputs. add running some MD steps for dreiding

2018-11-28 16:07:12 -05:00

log.27Nov18.dreiding.g++.1

update log files for dipole and dreiding example inputs. add running some MD steps for dreiding

2018-11-28 16:07:12 -05:00

log.27Nov18.dreiding.g++.4

update log files for dipole and dreiding example inputs. add running some MD steps for dreiding

2018-11-28 16:07:12 -05:00

README

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7062 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2011-10-10 16:33:07 +00:00

README

The LAMMPS input script and data file were built to
match the Cerius Dreiding files included
in this directory (ch3oh.box.*) so that you
can compare LAMMPS output to a Dreiding implementation
in the Cerius code.