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sjplimp 1d4a6440d1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5715 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:35:22 +00:00
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C2H6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5715 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:35:22 +00:00
CH4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5715 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:35:22 +00:00
README git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5715 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:35:22 +00:00

README 

Examples of using the fixed-core option in pEFF.
This fixes the two s electrons in an atom to be nuclei-centered
and with fixed radii

Structure files provided by Hai Xiao (Caltech)