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Fixing a bug in the kspace error estimator for triclinic systems

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12529 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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stamoor
2014-09-23 22:29:05 +00:00
parent 5d12a8fdab
commit f45b388d12
1 changed files with 7 additions and 1 deletions
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8
src/kspace.cpp
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@ -349,7 +349,13 @@ void KSpace::x2lamdaT(double *v, double *lamda)
void KSpace::lamda2xT(double *lamda, double *v)
{
double *h = domain->h;
double h[5];
h[0] = domain->h[0];
h[1] = domain->h[1];
h[2] = domain->h[2];
h[3] = fabs(domain->h[3]);
h[4] = fabs(domain->h[4]);
h[5] = fabs(domain->h[5]);
double v_tmp[3];
v_tmp[0] = h[0]*lamda[0];