updates "add eco df"
We think we followed all your requests/advice/suggestions (thanks!). We were unable to compile the current master (!) on Ubuntu and MacOS unless we added -std=c++11 to the Makefile(s) compiler flags. Note that this is NOT related to this pull request / the ECO Force. With this compiler flag, the current master works well with the fix_orient_eco (now renamed). The fix has been moved to USER-MISC (but we hope to get it to MISC later). We can't "make style_check ", but we have added our command to commands_fix.rst. We don't know GitHub well enough, so we don't know how to make sure that the PR #2122 was already included in the master, which we downloaded today.
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examples/USER/misc/orient_eco/orient_eco.in
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examples/USER/misc/orient_eco/orient_eco.in
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log log.orient_eco
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dimension 3
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boundary p p p
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units metal
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atom_style atomic
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read_data examples/USER/misc/orient_eco/sigma5.lammps
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pair_style eam
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pair_coeff * * potentials/Ni_u3.eam
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timestep 0.001
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fix integrator all npt temp 750 750 0.1 iso 0 0 0.1
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fix eco all orient/eco 0.08 0.25 3.6 examples/USER/misc/orient_eco/sigma5.ori
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thermo 100
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thermo_style custom step temp etotal press vol f_eco
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velocity all create 750 1
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dump save all custom 100 orient_eco.dump xs ys zs f_eco[1] f_eco[2]
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dump_modify save sort id
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run 1000
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25615
examples/USER/misc/orient_eco/sigma5.lammps
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25615
examples/USER/misc/orient_eco/sigma5.lammps
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File diff suppressed because it is too large
Load Diff
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examples/USER/misc/orient_eco/sigma5.ori
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examples/USER/misc/orient_eco/sigma5.ori
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1.671685 0.557228 1.76212
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0.557228 -1.671685 1.76212
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2.228913 -1.114456 0.000000
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0.557228 1.671685 1.76212
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1.671685 -0.557228 1.76212
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2.228913 1.114456 0.000000
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