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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11684 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-04-03 14:52:16 +00:00
parent 143cf7b7d0
commit 4905f1eb51
1 changed files with 3 additions and 3 deletions

6
src/update.cpp
View File

@ -247,7 +247,7 @@ void Update::set_units(const char *style)
force->ftm2v = 1.0;
force->mv2d = 1.0;
force->nktv2p = 1.0;
force->qqr2e = 8.9876e30;
force->qqr2e = 8.987556e6;
force->qe2f = 1.0;
force->vxmu2f = 1.0;
force->xxt2kmu = 1.0;
@ -262,13 +262,13 @@ void Update::set_units(const char *style)
neighbor->skin = 0.1;
} else if (strcmp(style,"nano") == 0) {
force->boltz = 0.013806503;
force->boltz = 0.013806504;
force->hplanck = 6.62606896e-4;
force->mvv2e = 1.0;
force->ftm2v = 1.0;
force->mv2d = 1.0;
force->nktv2p = 1.0;
force->qqr2e = 8.9876e39;
force->qqr2e = 230.7078669;
force->qe2f = 1.0;
force->vxmu2f = 1.0;
force->xxt2kmu = 1.0;