Commit d1bd0a9f by Francois Gygi

trailing blanks

git-svn-id: http://qboxcode.org/svn/qb/trunk@974 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 4b2cf104
......@@ -21,7 +21,7 @@
using namespace std;
////////////////////////////////////////////////////////////////////////////////
CGCellStepper::CGCellStepper(Sample& s) : CellStepper(s),
CGCellStepper::CGCellStepper(Sample& s) : CellStepper(s),
cgopt_(CGOptimizer(3*s.atoms.size()+9)), cell0(s_.atoms.cell())
{
nat_ = atoms_.size();
......@@ -106,7 +106,7 @@ void CGCellStepper::compute_new_cell(double e, const valarray<double>& sigma,
// the vector g now contains the gradient of the energy in tau+strain space
// project the gradient in a direction compatible with constraints
enforce_constraints(&g[3*nat_]);
// CG algorithm
......@@ -119,7 +119,7 @@ void CGCellStepper::compute_new_cell(double e, const valarray<double>& sigma,
}
for ( int i = 0; i < 9; i++ )
up_[i] = xp[3*nat_+i];
up_[i] = xp[3*nat_+i];
// enforce cell_lock constraints
enforce_constraints(&up_[0]);
......@@ -142,7 +142,7 @@ void CGCellStepper::compute_new_cell(double e, const valarray<double>& sigma,
D3vector a1p(apmat[3],apmat[4],apmat[5]);
D3vector a2p(apmat[6],apmat[7],apmat[8]);
cellp.set(a0p,a1p,a2p);
// compute new atomic positions rp_[is][3*ia+j] from xp and cellp
for ( int is = 0, i = 0; is < fion.size(); is++ )
{
......
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