From e9dbae3501d14dc46c4138c0b53db109173e415c Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 13 Apr 2007 15:23:23 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@480 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/verlet.cpp | 16 ++-------------- src/verlet.h | 2 +- 2 files changed, 3 insertions(+), 15 deletions(-) diff --git a/src/verlet.cpp b/src/verlet.cpp index 4154bfe4bd..9df786b745 100644 --- a/src/verlet.cpp +++ b/src/verlet.cpp @@ -92,14 +92,11 @@ void Verlet::init() } // set flags for what arrays to clear in force_clear() - // need to clear torques if atom_style is dipole - // need to clear phia if atom_style is granular + // need to clear torques if array exists // don't need to clear f_pair if atom_style is only granular (no virial) torqueflag = 0; - if (atom->check_style("dipole")) torqueflag = 1; - granflag = 0; - if (atom->check_style("granular")) granflag = 1; + if (atom->torque) torqueflag = 1; pairflag = 1; if (strcmp(atom->atom_style,"granular") == 0) pairflag = 0; @@ -309,15 +306,6 @@ void Verlet::force_clear(int vflag) } } - if (granflag) { - double **phia = atom->phia; - for (i = 0; i < nall; i++) { - phia[i][0] = 0.0; - phia[i][1] = 0.0; - phia[i][2] = 0.0; - } - } - // clear f_pair array if using it this timestep to compute virial if (vflag == 2 && pairflag) { diff --git a/src/verlet.h b/src/verlet.h index b05465bad2..f63cf539f3 100644 --- a/src/verlet.h +++ b/src/verlet.h @@ -35,7 +35,7 @@ class Verlet : public Integrate { int *next_fix_virial; // next timestep they need it int triclinic; // 0 if domain is orthog, 1 if triclinic - int pairflag,torqueflag,granflag; // arrays to zero out every step + int pairflag,torqueflag; // arrays to zero out every step int maxpair; // local copies of Update quantities double **f_pair;