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Merge remote branch 'lammps-ro/master' into lammps-icms

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Resolved Conflicts:
	doc/Manual.txt
This commit is contained in:
Axel Kohlmeyer
2013-09-05 14:02:35 +02:00
parent cb88752caa b3b26852c4
commit b46ddebe3e
110 changed files with 4886 additions and 4294 deletions
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8
src/respa.cpp
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@ -250,14 +250,6 @@ void Respa::init()
if (modify->nfix == 0 && comm->me == 0)
error->warning(FLERR,"No fixes defined, atoms won't move");
// warn about incorrect pressures when using rRESPA with fix SHAKE
int shakeflag = 0;
for (int i = 0; i < modify->nfix; i++)
if (strcmp(modify->fix[i]->style,"shake") == 0) shakeflag = 1;
if (shakeflag && comm->me == 0)
error->warning(FLERR,"Fix shake with rRESPA computes invalid pressures");
// create fix needed for storing atom-based respa level forces
// will delete it at end of run