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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1925 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-06-24 19:58:37 +00:00
parent 27e5475896
commit 48995a8fc9
2 changed files with 10 additions and 10 deletions
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10
src/fix_thermal_conductivity.cpp
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@ -105,7 +105,7 @@ void FixThermalConductivity::init()
// set bounds of 2 slabs in edim // set bounds of 2 slabs in edim
// only necessary for static box, else re-computed in end_of_step() // only necessary for static box, else re-computed in end_of_step()
// lo bin is always bottom bin // lo bin is always bottom bin
// if nbin even, hi bin is just below half height // if nbin even, hi bin is just above half height
// if nbin odd, hi bin straddles half height // if nbin odd, hi bin straddles half height
if (domain->box_change == 0) { if (domain->box_change == 0) {
@ -115,8 +115,8 @@ void FixThermalConductivity::init()
double binsize = (boxhi-boxlo) / nbin; double binsize = (boxhi-boxlo) / nbin;
slablo_lo = boxlo; slablo_lo = boxlo;
slablo_hi = boxlo + binsize; slablo_hi = boxlo + binsize;
slabhi_lo = boxlo + ((nbin-1)/2)*binsize; slabhi_lo = boxlo + (nbin/2)*binsize;
slabhi_hi = boxlo + ((nbin-1)/2 + 1)*binsize; slabhi_hi = boxlo + (nbin/2+1)*binsize;
} }
periodicity = domain->periodicity[edim]; periodicity = domain->periodicity[edim];
@ -143,8 +143,8 @@ void FixThermalConductivity::end_of_step()
double binsize = (boxhi-boxlo) / nbin; double binsize = (boxhi-boxlo) / nbin;
slablo_lo = boxlo; slablo_lo = boxlo;
slablo_hi = boxlo + binsize; slablo_hi = boxlo + binsize;
slabhi_lo = boxlo + ((nbin-1)/2)*binsize; slabhi_lo = boxlo + (nbin/2)*binsize;
slabhi_hi = boxlo + ((nbin-1)/2 + 1)*binsize; slabhi_hi = boxlo + (nbin/2+1)*binsize;
} }
// make 2 lists of up to nswap atoms // make 2 lists of up to nswap atoms

10
src/fix_viscosity.cpp
View File

@ -116,7 +116,7 @@ void FixViscosity::init()
// set bounds of 2 slabs in pdim // set bounds of 2 slabs in pdim
// only necessary for static box, else re-computed in end_of_step() // only necessary for static box, else re-computed in end_of_step()
// lo bin is always bottom bin // lo bin is always bottom bin
// if nbin even, hi bin is just below half height // if nbin even, hi bin is just above half height
// if nbin odd, hi bin straddles half height // if nbin odd, hi bin straddles half height
if (domain->box_change == 0) { if (domain->box_change == 0) {
@ -126,8 +126,8 @@ void FixViscosity::init()
double binsize = (boxhi-boxlo) / nbin; double binsize = (boxhi-boxlo) / nbin;
slablo_lo = boxlo; slablo_lo = boxlo;
slablo_hi = boxlo + binsize; slablo_hi = boxlo + binsize;
slabhi_lo = boxlo + ((nbin-1)/2)*binsize; slabhi_lo = boxlo + (nbin/2)*binsize;
slabhi_hi = boxlo + ((nbin-1)/2 + 1)*binsize; slabhi_hi = boxlo + (nbin/2+1)*binsize;
} }
periodicity = domain->periodicity[pdim]; periodicity = domain->periodicity[pdim];
@ -154,8 +154,8 @@ void FixViscosity::end_of_step()
double binsize = (boxhi-boxlo) / nbin; double binsize = (boxhi-boxlo) / nbin;
slablo_lo = boxlo; slablo_lo = boxlo;
slablo_hi = boxlo + binsize; slablo_hi = boxlo + binsize;
slabhi_lo = boxlo + ((nbin-1)/2)*binsize; slabhi_lo = boxlo + (nbin/2)*binsize;
slabhi_hi = boxlo + ((nbin-1)/2 + 1)*binsize; slabhi_hi = boxlo + (nbin/2+1)*binsize;
} }
// make 2 lists of up to nswap atoms with velocity closest to +/- vtarget // make 2 lists of up to nswap atoms with velocity closest to +/- vtarget