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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13347 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-03-31 21:44:24 +00:00
parent 87d5920431
commit 07239290ec
1 changed files with 2 additions and 1 deletions
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src/molecule.cpp
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@ -154,7 +154,8 @@ void Molecule::compute_mass()
/* ----------------------------------------------------------------------
compute com = center of mass of molecule
could have been set by user, otherwise calculate it
NOTE: account for finite size particles?
NOTE: does not account for finite size particles
user should specify COM if wants that effect
also compute:
dxcom = displacement of each atom from COM
comatom = which atom (1-Natom) is nearest the COM