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ATC version 2.0, date: Aug21

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10638 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
rjones
2013-08-21 23:06:07 +00:00
parent 0f69054d68
commit d77ab2f96a
161 changed files with 3811 additions and 2548 deletions
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6
lib/atc/CBLattice.cpp
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@ -1,6 +1,8 @@
#include "CBLattice.h"
#include "CbPotential.h"
#include <fstream>
namespace ATC {
// removes any overlapping atoms (avoid calling because it scales n^2.)
INDEX AtomCluster::remove_overlap()
@ -29,7 +31,7 @@ namespace ATC {
{
const int npts = int(ref_coords_.size());
if (path.substr(path.size()-5,4) != ".dat") path += ".dat";
fstream fid(path.c_str(), std::ios::out);
std::fstream fid(path.c_str(), std::ios::out);
for (int i=0; i<npts; i++) {
DENS_VEC x (current_config ? r(i):R(i));
@ -44,7 +46,7 @@ namespace ATC {
{
const int npts = int(ref_coords_.size());
if (path.substr(path.size()-5,4) != ".vtk") path += ".vtk";
fstream fid(path.c_str(), std::ios::out);
std::fstream fid(path.c_str(), std::ios::out);
// write header
fid << "# vtk DataFile Version 2.0\nWritten from FE-LAMMPS\n";