From 2391d7655ada6c5c94a0add387d3996cbedf5c87 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 16 Apr 2009 14:32:03 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2765 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/force.h | 3 ++- src/update.cpp | 9 ++++++++- 2 files changed, 10 insertions(+), 2 deletions(-) diff --git a/src/force.h b/src/force.h index 84948fd271..82a0ff9326 100644 --- a/src/force.h +++ b/src/force.h @@ -26,7 +26,8 @@ class Force : protected Pointers { double nktv2p; // conversion of NkT/V to pressure double qqr2e; // conversion of q^2/r to energy double qe2f; // conversion of qE to force - double vxmu2f; // conversion of vx mu to force + double vxmu2f; // conversion of vx dynamic-visc to force + double xxt2kmu; // conversion of xx/t to kinematic-visc double dielectric; // dielectric constant double qqrd2e; // q^2/r to energy w/ dielectric constant diff --git a/src/update.cpp b/src/update.cpp index c28a596ed4..c4b37b3742 100644 --- a/src/update.cpp +++ b/src/update.cpp @@ -108,17 +108,19 @@ void Update::set_units(const char *style) force->qqr2e = 1.0; force->qe2f = 1.0; force->vxmu2f = 1.0; + force->xxt2kmu = 1.0; dt = 0.005; neighbor->skin = 0.3; } else if (strcmp(style,"real") == 0) { - force->boltz = 0.0019872067; + force->boltz = 0.0019872067; force->mvv2e = 48.88821291 * 48.88821291; force->ftm2v = 1.0 / 48.88821291 / 48.88821291; force->nktv2p = 68568.415; force->qqr2e = 332.06371; force->qe2f = 23.060549; force->vxmu2f = 1.4393264316e4; + force->xxt2kmu = 0.1; dt = 1.0; neighbor->skin = 2.0; @@ -130,6 +132,7 @@ void Update::set_units(const char *style) force->qqr2e = 14.399645; force->qe2f = 1.0; force->vxmu2f = 0.6241509647; + force->xxt2kmu = 1.0e-4; dt = 0.001; neighbor->skin = 2.0; @@ -140,6 +143,8 @@ void Update::set_units(const char *style) force->nktv2p = 1.0; force->qqr2e = 8.9876e9; force->qe2f = 1.0; + force->vxmu2f = 1.0; + force->xxt2kmu = 1.0; dt = 1.0e-8; neighbor->skin = 0.001; @@ -150,6 +155,8 @@ void Update::set_units(const char *style) force->nktv2p = 1.0; force->qqr2e = 1.0; force->qe2f = 1.0; + force->vxmu2f = 1.0; + force->xxt2kmu = 1.0; dt = 1.0e-8; neighbor->skin = 0.1;