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lammps/examples/dreiding
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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
..
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
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 

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.