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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5717 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-02-22 22:36:22 +00:00
parent 691894ab34
commit a21e59fa7e
1 changed files with 296 additions and 296 deletions
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14
src/update.cpp
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@ -168,15 +168,15 @@ void Update::set_units(const char *style)
neighbor->skin = 0.1;
} else if (strcmp(style,"electron") == 0) {
force->boltz = 3.16679e-6;
force->mvv2e = 1.0;
force->ftm2v = 1 / 1.0327499;
force->boltz = 3.16681534e-6;
force->mvv2e = 1.06657236;
force->ftm2v = 0.937582899;
force->mv2d = 1.0;
force->nktv2p = 2.9421e13;
force->nktv2p = 2.94210108e13;
force->qqr2e = 1.0;
force->qe2f = 1.0;
force->vxmu2f = 0.6241509647;
force->xxt2kmu = 1.0e-4;
force->qe2f = 1.94469051e-10;
force->vxmu2f = 3.39893149e1;
force->xxt2kmu = 3.13796367e-2;
dt = 0.001;
neighbor->skin = 2.0;