Loading src/fix_thermal_conductivity.cpp +5 −5 Original line number Diff line number Diff line Loading @@ -105,7 +105,7 @@ void FixThermalConductivity::init() // set bounds of 2 slabs in edim // only necessary for static box, else re-computed in end_of_step() // 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 (domain->box_change == 0) { Loading @@ -115,8 +115,8 @@ void FixThermalConductivity::init() double binsize = (boxhi-boxlo) / nbin; slablo_lo = boxlo; slablo_hi = boxlo + binsize; slabhi_lo = boxlo + ((nbin-1)/2)*binsize; slabhi_hi = boxlo + ((nbin-1)/2 + 1)*binsize; slabhi_lo = boxlo + (nbin/2)*binsize; slabhi_hi = boxlo + (nbin/2+1)*binsize; } periodicity = domain->periodicity[edim]; Loading @@ -143,8 +143,8 @@ void FixThermalConductivity::end_of_step() double binsize = (boxhi-boxlo) / nbin; slablo_lo = boxlo; slablo_hi = boxlo + binsize; slabhi_lo = boxlo + ((nbin-1)/2)*binsize; slabhi_hi = boxlo + ((nbin-1)/2 + 1)*binsize; slabhi_lo = boxlo + (nbin/2)*binsize; slabhi_hi = boxlo + (nbin/2+1)*binsize; } // make 2 lists of up to nswap atoms Loading src/fix_viscosity.cpp +5 −5 Original line number Diff line number Diff line Loading @@ -116,7 +116,7 @@ void FixViscosity::init() // set bounds of 2 slabs in pdim // only necessary for static box, else re-computed in end_of_step() // 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 (domain->box_change == 0) { Loading @@ -126,8 +126,8 @@ void FixViscosity::init() double binsize = (boxhi-boxlo) / nbin; slablo_lo = boxlo; slablo_hi = boxlo + binsize; slabhi_lo = boxlo + ((nbin-1)/2)*binsize; slabhi_hi = boxlo + ((nbin-1)/2 + 1)*binsize; slabhi_lo = boxlo + (nbin/2)*binsize; slabhi_hi = boxlo + (nbin/2+1)*binsize; } periodicity = domain->periodicity[pdim]; Loading @@ -154,8 +154,8 @@ void FixViscosity::end_of_step() double binsize = (boxhi-boxlo) / nbin; slablo_lo = boxlo; slablo_hi = boxlo + binsize; slabhi_lo = boxlo + ((nbin-1)/2)*binsize; slabhi_hi = boxlo + ((nbin-1)/2 + 1)*binsize; slabhi_lo = boxlo + (nbin/2)*binsize; slabhi_hi = boxlo + (nbin/2+1)*binsize; } // make 2 lists of up to nswap atoms with velocity closest to +/- vtarget Loading Loading
src/fix_thermal_conductivity.cpp +5 −5 Original line number Diff line number Diff line Loading @@ -105,7 +105,7 @@ void FixThermalConductivity::init() // set bounds of 2 slabs in edim // only necessary for static box, else re-computed in end_of_step() // 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 (domain->box_change == 0) { Loading @@ -115,8 +115,8 @@ void FixThermalConductivity::init() double binsize = (boxhi-boxlo) / nbin; slablo_lo = boxlo; slablo_hi = boxlo + binsize; slabhi_lo = boxlo + ((nbin-1)/2)*binsize; slabhi_hi = boxlo + ((nbin-1)/2 + 1)*binsize; slabhi_lo = boxlo + (nbin/2)*binsize; slabhi_hi = boxlo + (nbin/2+1)*binsize; } periodicity = domain->periodicity[edim]; Loading @@ -143,8 +143,8 @@ void FixThermalConductivity::end_of_step() double binsize = (boxhi-boxlo) / nbin; slablo_lo = boxlo; slablo_hi = boxlo + binsize; slabhi_lo = boxlo + ((nbin-1)/2)*binsize; slabhi_hi = boxlo + ((nbin-1)/2 + 1)*binsize; slabhi_lo = boxlo + (nbin/2)*binsize; slabhi_hi = boxlo + (nbin/2+1)*binsize; } // make 2 lists of up to nswap atoms Loading
src/fix_viscosity.cpp +5 −5 Original line number Diff line number Diff line Loading @@ -116,7 +116,7 @@ void FixViscosity::init() // set bounds of 2 slabs in pdim // only necessary for static box, else re-computed in end_of_step() // 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 (domain->box_change == 0) { Loading @@ -126,8 +126,8 @@ void FixViscosity::init() double binsize = (boxhi-boxlo) / nbin; slablo_lo = boxlo; slablo_hi = boxlo + binsize; slabhi_lo = boxlo + ((nbin-1)/2)*binsize; slabhi_hi = boxlo + ((nbin-1)/2 + 1)*binsize; slabhi_lo = boxlo + (nbin/2)*binsize; slabhi_hi = boxlo + (nbin/2+1)*binsize; } periodicity = domain->periodicity[pdim]; Loading @@ -154,8 +154,8 @@ void FixViscosity::end_of_step() double binsize = (boxhi-boxlo) / nbin; slablo_lo = boxlo; slablo_hi = boxlo + binsize; slabhi_lo = boxlo + ((nbin-1)/2)*binsize; slabhi_hi = boxlo + ((nbin-1)/2 + 1)*binsize; slabhi_lo = boxlo + (nbin/2)*binsize; slabhi_hi = boxlo + (nbin/2+1)*binsize; } // make 2 lists of up to nswap atoms with velocity closest to +/- vtarget Loading
