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