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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1360 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-01-09 21:56:57 +00:00
parent 6eacb0b5f9
commit b2b8adfae9
99 changed files with 487 additions and 375 deletions
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6
src/fix_nph.cpp
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@ -306,7 +306,7 @@ void FixNPH::init()
compute T,P before integrator starts
------------------------------------------------------------------------- */
void FixNPH::setup()
void FixNPH::setup(int vflag)
{
p_target[0] = p_start[0]; // used by compute_scalar()
p_target[1] = p_start[1];
@ -330,7 +330,7 @@ void FixNPH::setup()
1st half of Verlet update
------------------------------------------------------------------------- */
void FixNPH::initial_integrate()
void FixNPH::initial_integrate(int vflag)
{
int i;
@ -455,7 +455,7 @@ void FixNPH::final_integrate()
/* ---------------------------------------------------------------------- */
void FixNPH::initial_integrate_respa(int ilevel, int flag)
void FixNPH::initial_integrate_respa(int vflag, int ilevel, int flag)
{
// if flag = 1, then is 2nd call at outermost level from rRESPA
// perform 2nd half of box remap on own + ghost atoms and return