From ee4a1f0452ce238009a1e4eeae82954227d151d8 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 7 Sep 2016 16:12:51 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15559
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/group.cpp | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/src/group.cpp b/src/group.cpp
index 5ea815174f..973fcbdcce 100644
--- a/src/group.cpp
+++ b/src/group.cpp
@@ -1665,7 +1665,6 @@ void Group::inertia(int igroup, double *cm, double itensor[3][3], int iregion)
/* ----------------------------------------------------------------------
compute angular velocity omega from L and I
- diagonalize I instead of inverting it, to allow for a singular matrix
------------------------------------------------------------------------- */
void Group::omega(double *angmom, double inertia[3][3], double *w)
@@ -1684,7 +1683,7 @@ void Group::omega(double *angmom, double inertia[3][3], double *w)
// non-singular I matrix
// use L = Iw, inverting I to solve for w
- // this should give exact zeroing of omega by velocity command
+ // this should give exact zeroing of angular momentum by velocity command
if (determinant > EPSILON) {
@@ -1718,6 +1717,7 @@ void Group::omega(double *angmom, double inertia[3][3], double *w)
// handle (nearly) singular I matrix
// typically due to 2-atom group or linear molecule
// use jacobi() and angmom_to_omega() to calculate valid omega
+ // less exact answer than matrix inversion, due to iterative Jacobi method
} else {
int ierror = MathExtra::jacobi(inertia,idiag,evectors);
--
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