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more accurate checking for styles using utils::strmatch() instead of strcmp() or strncmp()

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This commit is contained in:
Axel Kohlmeyer
2019-06-07 07:14:57 -04:00
parent b53df3dd63
commit 61e9dc4c8d
7 changed files with 30 additions and 33 deletions
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27
src/USER-PLUMED/fix_plumed.cpp
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@ -33,6 +33,7 @@
#include "compute.h"
#include "modify.h"
#include "pair.h"
#include "utils.h"
#include "plumed/wrapper/Plumed.h"
@ -250,15 +251,15 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
// Avoid conflict with fixes that define internal pressure computes.
// See comment in the setup method
if ((strncmp(check_style,"nph",3) == 0) ||
(strncmp(check_style,"npt",3) == 0) ||
(strncmp(check_style,"rigid/nph",9) == 0) ||
(strncmp(check_style,"rigid/npt",9) == 0) ||
(strncmp(check_style,"msst",4) == 0) ||
(strncmp(check_style,"nphug",5) == 0) ||
(strncmp(check_style,"ipi",3) == 0) ||
(strncmp(check_style,"press/berendsen",15) == 0) ||
(strncmp(check_style,"qbmsst",6) == 0))
if (utils::strmatch(check_style,"^nph") ||
utils::strmatch(check_style,"^npt") ||
utils::strmatch(check_style,"^rigid/nph") ||
utils::strmatch(check_style,"^rigid/npt") ||
utils::strmatch(check_style,"^msst") ||
utils::strmatch(check_style,"^nphug") ||
utils::strmatch(check_style,"^ipi") ||
utils::strmatch(check_style,"^press/berendsen") ||
utils::strmatch(check_style,"^qbmsst"))
error->all(FLERR,"Fix plumed must be defined before any other fixes, "
"that compute pressure internally");
}
@ -289,7 +290,7 @@ int FixPlumed::setmask()
void FixPlumed::init()
{
if (strcmp(update->integrate_style,"respa") == 0)
if (utils::strmatch(update->integrate_style,"^respa"))
nlevels_respa = ((Respa *) update->integrate)->nlevels;
// This avoids nan pressure if compute_pressure is called
@ -309,12 +310,12 @@ void FixPlumed::setup(int vflag)
// has to be executed first. This creates a race condition with the
// setup method of fix_nh. This is why in the constructor I check if
// nh fixes have already been called.
if (strcmp(update->integrate_style,"verlet") == 0)
post_force(vflag);
else {
if (utils::strmatch(update->integrate_style,"^respa")) {
((Respa *) update->integrate)->copy_flevel_f(nlevels_respa-1);
post_force_respa(vflag,nlevels_respa-1,0);
((Respa *) update->integrate)->copy_f_flevel(nlevels_respa-1);
} else {
post_force(vflag);
}
}