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lammps/tools/msi2lmp/test/reference
History
Axel Kohlmeyer f5cf3008dd added new (fast/small) test example for PCFF with ignore flag set
2016-01-03 16:21:34 -05:00
..
benzene-class1.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
benzene-class1.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
benzene-class1.data3
add set of benzene molecule tests
2013-07-12 15:08:06 +02:00
benzene-class2a.data
add set of benzene molecule tests
2013-07-12 15:08:06 +02:00
benzene-class2a.data2
add set of benzene molecule tests
2013-07-12 15:08:06 +02:00
benzene-class2b.data
add set of benzene molecule tests
2013-07-12 15:08:06 +02:00
benzene-class2b.data2
add set of benzene molecule tests
2013-07-12 15:08:06 +02:00
cnt-hexagonal-class1.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
cnt-hexagonal-class1.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
cnt-hexagonal-class2a.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
cnt-hexagonal-class2a.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
cnt-hexagonal-class2b.data
update data file with pre-style marker versions
2014-03-07 15:02:30 +01:00
cnt-hexagonal-class2b.data2
update data file with pre-style marker versions
2014-03-07 15:02:30 +01:00
crambin-class1.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
crambin-class1.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
decane-oplsaa.data
add opls-aa test with decane molecules
2015-10-24 00:55:02 -04:00
decane-oplsaa.data2
add opls-aa test with decane molecules
2015-10-24 00:55:02 -04:00
ethane-class1.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
ethane-class1.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
ethane-class2a.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
ethane-class2a.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
ethane-class2b.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
ethane-class2b.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
ethane-oplsaa.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
ethane-oplsaa.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
h2-h2o-class1.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
h2-h2o-class1.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
h2-h2o-class2b.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
h2-h2o-class2b.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
hap_crystal-class1.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
hap_crystal-class1.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
hap_crystal-class2b.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
hap_crystal-class2b.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
hydrogen-class1.data
update reference data after implementing write_data into class2 impropers
2013-07-12 13:44:37 +02:00
hydrogen-class1.data2
update reference data files to corrected versions
2013-07-11 21:34:07 +02:00
hydrogen-class2a.data
rename class2 reference files, too
2013-07-12 00:06:15 +02:00
hydrogen-class2a.data2
rename class2 reference files, too
2013-07-12 00:06:15 +02:00
naphthalene-class1.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
naphthalene-class1.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
naphthalene-class2a.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
naphthalene-class2a.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
naphthalene-class2b.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
naphthalene-class2b.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
nylon-class1.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
nylon-class1.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
phen3_cff97-class1.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
phen3_cff97-class1.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
pmma-poly-class2c.data
added new (fast/small) test example for PCFF with ignore flag set
2016-01-03 16:21:34 -05:00
pmma-poly-class2c.data2
added new (fast/small) test example for PCFF with ignore flag set
2016-01-03 16:21:34 -05:00
PyAC_bulk-clayff.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
PyAC_bulk-clayff.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
solv-poly-class2c.data
add test case for larger system names
2014-09-12 03:30:27 -04:00
solv-poly-class2c.data2
add test case for larger system names
2014-09-12 03:30:27 -04:00
water-class1.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
water-class1.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
water-class2b.data
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00
water-class2b.data2
update reference data for current version of msi2lmp and LAMMPS
2015-10-24 01:15:47 -04:00