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lammps/tools/msi2lmp/test
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Axel Kohlmeyer 0853cdbe6f update reference data files for updated/corrected clayff parameters
2016-10-06 11:47:08 -04:00
..
reference
update reference data files for updated/corrected clayff parameters
2016-10-06 11:47:08 -04:00
benzene-class1.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
benzene-class1.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
benzene-class2a.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
benzene-class2a.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
benzene-class2b.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
benzene-class2b.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
cnt-hexagonal-class1.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
cnt-hexagonal-class1.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
cnt-hexagonal-class2a.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
cnt-hexagonal-class2a.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
cnt-hexagonal-class2b.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
cnt-hexagonal-class2b.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
crambin-class1.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
crambin-class1.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
data-compare.pl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
decane-oplsaa.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
decane-oplsaa.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
ethane-class1.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
ethane-class1.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
ethane-class2a.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
ethane-class2a.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
ethane-class2b.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
ethane-class2b.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
ethane-oplsaa.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
ethane-oplsaa.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
h2-h2o-class1.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
h2-h2o-class1.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
h2-h2o-class2b.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
h2-h2o-class2b.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
hap_crystal-class1.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
hap_crystal-class1.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
hap_crystal-class2b.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
hap_crystal-class2b.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
hydrogen-class1.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
hydrogen-class1.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
hydrogen-class2a.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
hydrogen-class2a.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.benzene-class1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.benzene-class2a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.benzene-class2b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.cnt-hexagonal-class1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.cnt-hexagonal-class2a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.cnt-hexagonal-class2b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.crambin-class1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.decane-oplsaa
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.ethane-class1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.ethane-class2a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.ethane-class2b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.ethane-oplsaa
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.h2-h2o-class1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.h2-h2o-class2b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.hap_crystal-class1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.hap_crystal-class2b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.hydrogen-class1
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2015-10-30 19:46:30 +00:00
in.hydrogen-class2a
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2015-10-30 19:46:30 +00:00
in.naphthalene-class1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.naphthalene-class2a
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2015-10-30 19:46:30 +00:00
in.naphthalene-class2b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.nylon-class1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.phen3_cff97-class1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.PyAC_bulk-clayff
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.solv-poly-class2c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
in.water-class1
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2015-10-30 19:46:30 +00:00
in.water-class2b
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2015-10-30 19:46:30 +00:00
naphthalene-class1.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
naphthalene-class1.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
naphthalene-class2a.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
naphthalene-class2a.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
naphthalene-class2b.car
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2015-10-30 19:46:30 +00:00
naphthalene-class2b.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
nylon-class1.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
nylon-class1.mdf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
phen3_cff97-class1.car
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2015-10-30 19:46:30 +00:00
phen3_cff97-class1.mdf
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2015-10-30 19:46:30 +00:00
PyAC_bulk-clayff.car
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2015-10-30 19:46:30 +00:00
PyAC_bulk-clayff.mdf
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2015-10-30 19:46:30 +00:00
runtests.sh
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
water-class1.car
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
water-class1.mdf
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2015-10-30 19:46:30 +00:00
water-class2b.car
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2015-10-30 19:46:30 +00:00
water-class2b.mdf
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2015-10-30 19:46:30 +00:00