Diffusion lammps 79ec2261bb82

Added some new ReaxFF examples
79ec2261bb82
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Authored by athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa> on Feb 19 2011, 04:56.

Description

Added some new ReaxFF examples

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5673 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Details

Committed

athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa>

Feb 19 2011, 04:56

Pushed

junge

Oct 6 2016, 16:49

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rLAMMPS97773d1c15c5: Added some new ReaxFF examples

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Event Timeline

athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa> committed rLAMMPS79ec2261bb82: Added some new ReaxFF examples (authored by athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa>).Feb 19 2011, 04:56

Changes (65)

		Path
A	(dir)	examples/reax/AB/
A		examples/reax/AB/data.AB
A		examples/reax/AB/dump.reax.ab
P		examples/reax/AB/ffield.reax.AB Copied from potentials/ffield.reax.AB
A		examples/reax/AB/in.AB
A		examples/reax/AB/lmp_control
A		examples/reax/AB/log.reaxc.ab.18Feb11.linux.1
A		examples/reax/AB/log.reaxc.ab.18Feb11.linux.4
A		examples/reax/AB/param.qeq
A	(dir)	examples/reax/Au_O/
A		examples/reax/Au_O/data.AuO
A		examples/reax/Au_O/dump.reax.auo
P		examples/reax/Au_O/ffield.reax.AuO Copied from potentials/ffield.reax.AuO
A		examples/reax/Au_O/in.AuO
A		examples/reax/Au_O/lmp_control
A		examples/reax/Au_O/log.reaxc.auo.18Feb11.linux.1
A		examples/reax/Au_O/log.reaxc.auo.18Feb11.linux.4
A		examples/reax/Au_O/param.qeq
A	(dir)	examples/reax/CHO/
A		examples/reax/CHO/data.CHO
A		examples/reax/CHO/dump.reax.cho
P		examples/reax/CHO/ffield.reax.cho Copied from potentials/ffield.reax.cho
A		examples/reax/CHO/in.CHO
A		examples/reax/CHO/lmp_control
A		examples/reax/CHO/log.reaxc.cho.18Feb11.linux.1
A		examples/reax/CHO/log.reaxc.cho.18Feb11.linux.4
A		examples/reax/CHO/param.qeq
A	(dir)	examples/reax/Fe_O_H/
A		examples/reax/Fe_O_H/data.FeOH3
A		examples/reax/Fe_O_H/dump.reax.feoh
P		examples/reax/Fe_O_H/ffield.reax.Fe_O_C_H Copied from potentials/ffield.reax.Fe_O_C_H
A		examples/reax/Fe_O_H/in.FeOH3
A		examples/reax/Fe_O_H/lmp_control
A		examples/reax/Fe_O_H/log.reaxc.feoh.18Feb11.linux.1
A		examples/reax/Fe_O_H/log.reaxc.feoh.18Feb11.linux.4
A		examples/reax/Fe_O_H/param.qeq
A	(dir)	examples/reax/RDX/
A		examples/reax/RDX/data.RDX
A		examples/reax/RDX/dump.reax.rdx
P		examples/reax/RDX/ffield.reax.rdx Copied from potentials/ffield.reax.rdx
A		examples/reax/RDX/in.RDX
A		examples/reax/RDX/lmp_control
A		examples/reax/RDX/log.reaxc.rdx.18Feb11.linux.1
A		examples/reax/RDX/log.reaxc.rdx.18Feb11.linux.4
A		examples/reax/RDX/param.qeq
A		examples/reax/README
A	(dir)	examples/reax/V_O_H/
A		examples/reax/V_O_H/data.VOH
A		examples/reax/V_O_H/dump.reax.voh
P		examples/reax/V_O_H/ffield.reax.V_O_C_H Copied from potentials/ffield.reax.V_O_C_H
A		examples/reax/V_O_H/in.VOH
A		examples/reax/V_O_H/lmp_control
A		examples/reax/V_O_H/log.reaxc.voh.18Feb11.linux.1
A		examples/reax/V_O_H/log.reaxc.voh.18Feb11.linux.4
A		examples/reax/V_O_H/param.qeq
A	(dir)	examples/reax/Zn_O_H/
A		examples/reax/Zn_O_H/data.ZnOH2
A		examples/reax/Zn_O_H/dump.reax.znoh
P		examples/reax/Zn_O_H/ffield.reax.ZnOH Copied from potentials/ffield.reax.ZnOH
A		examples/reax/Zn_O_H/in.ZnOH2
A		examples/reax/Zn_O_H/lmp_control
A		examples/reax/Zn_O_H/log.reaxc.znoh.18Feb11.linux.1
A		examples/reax/Zn_O_H/log.reaxc.znoh.18Feb11.linux.4
A		examples/reax/Zn_O_H/param.qeq
D		examples/reax/bonds.reax.tatb