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ATC version 2.0, date: Nov20

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12757 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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jatempl
2014-11-20 18:59:03 +00:00
parent 2fecb0f4b8
commit ac5973073f
69 changed files with 5895 additions and 2159 deletions
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6
lib/atc/KernelFunction.cpp
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@ -131,7 +131,7 @@ namespace ATC {
invRc_ = 1.0/Rc_;
Rc_ = parameters[0];
invRc_ = 1.0/Rc_;
invVol_ = 1.0/(4.0/3.0*Pi*pow(Rc_,3));
invVol_ = 1.0/(4.0/3.0*Pi_*pow(Rc_,3));
ATC::Quadrature::instance()->set_line_quadrature(line_ngauss,line_xg,line_wg);
@ -561,7 +561,7 @@ namespace ATC {
{
nsd_ = 2;
double Lz = box_length[2];
invVol_ = 1.0/(Pi*pow(Rc_,2)*Lz);
invVol_ = 1.0/(Pi_*pow(Rc_,2)*Lz);
for (int k = 0; k < nsd_; k++ ) {
if ((bool) periodicity[k]) {
if (Rc_ > 0.5*box_length[k]) {
@ -594,7 +594,7 @@ namespace ATC {
{
nsd_ = 2;
double Lz = box_length[2];
invVol_ = 1.0/(Pi*pow(Rc_,2)*Lz);
invVol_ = 1.0/(Pi_*pow(Rc_,2)*Lz);
for (int k = 0; k < nsd_; k++ ) {
if ((bool) periodicity[k]) {
if (Rc_ > 0.5*box_length[k]) {