Diffusion lammps 97cd8b401e07

update reference data for current version of msi2lmp and LAMMPS
97cd8b401e07
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Oct 24 2015, 07:15.

Description

update reference data for current version of msi2lmp and LAMMPS

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Oct 24 2015, 07:15

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS09aa1365cca6: undo timelimit code in minimizers

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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS97cd8b401e07: update reference data for current version of msi2lmp and LAMMPS (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Oct 24 2015, 07:15

Changes (40)

				Path
	M			tools/msi2lmp/test/reference/PyAC_bulk-clayff.data
	M			tools/msi2lmp/test/reference/PyAC_bulk-clayff.data2
	M			tools/msi2lmp/test/reference/benzene-class1.data
	M			tools/msi2lmp/test/reference/benzene-class1.data2
	M			tools/msi2lmp/test/reference/cnt-hexagonal-class1.data
	M			tools/msi2lmp/test/reference/cnt-hexagonal-class1.data2
	M			tools/msi2lmp/test/reference/cnt-hexagonal-class2a.data
	M			tools/msi2lmp/test/reference/cnt-hexagonal-class2a.data2
	M			tools/msi2lmp/test/reference/crambin-class1.data
	M			tools/msi2lmp/test/reference/crambin-class1.data2
	M			tools/msi2lmp/test/reference/ethane-class1.data
	M			tools/msi2lmp/test/reference/ethane-class1.data2
	M			tools/msi2lmp/test/reference/ethane-class2a.data
	M			tools/msi2lmp/test/reference/ethane-class2a.data2
	M			tools/msi2lmp/test/reference/ethane-class2b.data
	M			tools/msi2lmp/test/reference/ethane-class2b.data2
	M			tools/msi2lmp/test/reference/ethane-oplsaa.data
	M			tools/msi2lmp/test/reference/ethane-oplsaa.data2
	M			tools/msi2lmp/test/reference/h2-h2o-class1.data
	M			tools/msi2lmp/test/reference/h2-h2o-class1.data2
	M			tools/msi2lmp/test/reference/h2-h2o-class2b.data
	M			tools/msi2lmp/test/reference/h2-h2o-class2b.data2
	M			tools/msi2lmp/test/reference/hap_crystal-class1.data
	M			tools/msi2lmp/test/reference/hap_crystal-class1.data2
	M			tools/msi2lmp/test/reference/hap_crystal-class2b.data
	M			tools/msi2lmp/test/reference/hap_crystal-class2b.data2
	M			tools/msi2lmp/test/reference/naphthalene-class1.data
	M			tools/msi2lmp/test/reference/naphthalene-class1.data2
	M			tools/msi2lmp/test/reference/naphthalene-class2a.data
	M			tools/msi2lmp/test/reference/naphthalene-class2a.data2
	M			tools/msi2lmp/test/reference/naphthalene-class2b.data
	M			tools/msi2lmp/test/reference/naphthalene-class2b.data2
	M			tools/msi2lmp/test/reference/nylon-class1.data
	M			tools/msi2lmp/test/reference/nylon-class1.data2
	M			tools/msi2lmp/test/reference/phen3_cff97-class1.data
	M			tools/msi2lmp/test/reference/phen3_cff97-class1.data2
	M			tools/msi2lmp/test/reference/water-class1.data
	M			tools/msi2lmp/test/reference/water-class1.data2
	M			tools/msi2lmp/test/reference/water-class2b.data
	M			tools/msi2lmp/test/reference/water-class2b.data2