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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1591 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-03-11 17:15:30 +00:00
parent 07c6376bcf
commit d0e374e4c3
27 changed files with 412 additions and 206 deletions
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8
src/fix_nvt_sllod.cpp
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@ -78,7 +78,7 @@ void FixNVTSlodd::initial_integrate(int vflag)
eta += dtv*eta_dot;
factor = exp(-dthalf*eta_dot);
// update vthermal and x of only atoms in NVT group
// update vthermal and x of only atoms in group
// lamda = 0-1 triclinic lamda coords
// vstream = streaming velocity = Hrate*lamda + Hratelo
// vthermal = thermal velocity = v - vstream
@ -134,7 +134,7 @@ void FixNVTSlodd::final_integrate()
{
double dtfm;
// update vthermal of only atoms in NVT group
// update vthermal of only atoms in group
// lamda = 0-1 triclinic lamda coords
// vstream = streaming velocity = Hrate*lamda + Hratelo
// vthermal = thermal velocity = v - vstream
@ -232,7 +232,7 @@ void FixNVTSlodd::initial_integrate_respa(int vflag, int ilevel, int flag)
factor = exp(-dthalf*eta_dot);
} else factor = 1.0;
// update v of only atoms in NVT group
// update v of only atoms in group
double *h_rate = domain->h_rate;
double *h_ratelo = domain->h_ratelo;
@ -265,7 +265,7 @@ void FixNVTSlodd::initial_integrate_respa(int vflag, int ilevel, int flag)
}
}
// innermost level - also update x of only atoms in NVT group
// innermost level - also update x of only atoms in group
if (ilevel == 0) {
for (int i = 0; i < nlocal; i++) {