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allow regexp matches for Modify::find_fix_by_style() and consolidate usage of searching for fixes

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This commit is contained in:
Axel Kohlmeyer
2019-10-18 05:34:27 -04:00
parent bb21847f8a
commit dcb1b6500b
13 changed files with 40 additions and 55 deletions
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18
src/GRANULAR/fix_pour.cpp
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@ -180,11 +180,8 @@ FixPour::FixPour(LAMMPS *lmp, int narg, char **arg) :
// grav = gravity in distance/time^2 units // grav = gravity in distance/time^2 units
// assume grav = -magnitude at this point, enforce in init() // assume grav = -magnitude at this point, enforce in init()
int ifix; int ifix = modify->find_fix_by_style("^gravity");
for (ifix = 0; ifix < modify->nfix; ifix++) if (ifix == -1)
if (utils::strmatch(modify->fix[ifix]->style,"^gravity")) break;
if (ifix == modify->nfix)
error->all(FLERR,"No fix gravity defined for fix pour"); error->all(FLERR,"No fix gravity defined for fix pour");
grav = - ((FixGravity *) modify->fix[ifix])->magnitude * force->ftm2v; grav = - ((FixGravity *) modify->fix[ifix])->magnitude * force->ftm2v;
@ -309,17 +306,12 @@ void FixPour::init()
if (domain->triclinic) if (domain->triclinic)
error->all(FLERR,"Cannot use fix pour with triclinic box"); error->all(FLERR,"Cannot use fix pour with triclinic box");
// insure gravity fix exists // insure gravity fix (still) exists
// for 3d must point in -z, for 2d must point in -y // for 3d must point in -z, for 2d must point in -y
// else insertion cannot work // else insertion cannot work
int ifix; int ifix = modify->find_fix_by_style("^gravity");
for (ifix = 0; ifix < modify->nfix; ifix++) { if (ifix == -1)
if (strcmp(modify->fix[ifix]->style,"gravity") == 0) break;
if (strcmp(modify->fix[ifix]->style,"gravity/omp") == 0) break;
if (strstr(modify->fix[ifix]->style,"gravity/kk") != NULL) break;
}
if (ifix == modify->nfix)
error->all(FLERR,"No fix gravity defined for fix pour"); error->all(FLERR,"No fix gravity defined for fix pour");
double xgrav = ((FixGravity *) modify->fix[ifix])->xgrav; double xgrav = ((FixGravity *) modify->fix[ifix])->xgrav;

6
src/PERI/compute_damage_atom.cpp
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@ -59,11 +59,9 @@ void ComputeDamageAtom::init()
// find associated PERI_NEIGH fix that must exist // find associated PERI_NEIGH fix that must exist
ifix_peri = -1; ifix_peri = modify->find_fix_by_style("PERI_NEIGH");
for (int i = 0; i < modify->nfix; i++)
if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i;
if (ifix_peri == -1) if (ifix_peri == -1)
error->all(FLERR,"Compute damage/atom requires peridynamic potential"); error->all(FLERR,"Compute damage/atom requires a peridynamic potential");
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */

13
src/PERI/compute_dilatation_atom.cpp
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@ -66,10 +66,10 @@ void ComputeDilatationAtom::init()
// check PD pair style // check PD pair style
isPMB = isLPS = isVES = isEPS = 0; isPMB = isLPS = isVES = isEPS = 0;
if (force->pair_match("peri/pmb",1)) isPMB = 1; if (force->pair_match("^peri/pmb",0)) isPMB = 1;
if (force->pair_match("peri/lps",1)) isLPS = 1; if (force->pair_match("^peri/lps",0)) isLPS = 1;
if (force->pair_match("peri/ves",1)) isVES = 1; if (force->pair_match("^peri/ves",0)) isVES = 1;
if (force->pair_match("peri/eps",1)) isEPS = 1; if (force->pair_match("^peri/eps",0)) isEPS = 1;
if (isPMB) if (isPMB)
error->all(FLERR,"Compute dilatation/atom cannot be used " error->all(FLERR,"Compute dilatation/atom cannot be used "
@ -77,10 +77,7 @@ void ComputeDilatationAtom::init()
// find associated PERI_NEIGH fix that must exist // find associated PERI_NEIGH fix that must exist
int ifix_peri = -1; if (modify->find_fix_by_style("^PERI_NEIGH") == -1)
for (int i = 0; i < modify->nfix; i++)
if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i;
if (ifix_peri == -1)
error->all(FLERR,"Compute dilatation/atom requires Peridynamic pair style"); error->all(FLERR,"Compute dilatation/atom requires Peridynamic pair style");
} }

6
src/PERI/compute_plasticity_atom.cpp
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@ -66,11 +66,9 @@ void ComputePlasticityAtom::init()
// find associated PERI_NEIGH fix that must exist // find associated PERI_NEIGH fix that must exist
ifix_peri = -1; ifix_peri = modify->find_fix_by_style("^PERI_NEIGH");
for (int i = 0; i < modify->nfix; i++)
if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i;
if (ifix_peri == -1) if (ifix_peri == -1)
error->all(FLERR,"Compute plasticity/atom requires Peridynamic pair style"); error->all(FLERR,"Compute plasticity/atom requires a Peridynamics pair style");
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */

6
src/PERI/pair_peri_eps.cpp
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@ -524,9 +524,9 @@ void PairPeriEPS::init_style()
// find associated PERI_NEIGH fix that must exist // find associated PERI_NEIGH fix that must exist
// could have changed locations in fix list since created // could have changed locations in fix list since created
for (int i = 0; i < modify->nfix; i++) ifix_peri = modify->find_fix_by_style("^PERI_NEIGH");
if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i; if (ifix_peri == -1)
if (ifix_peri == -1) error->all(FLERR,"Fix peri neigh does not exist"); error->all(FLERR,"Fix peri neigh does not exist");
neighbor->request(this,instance_me); neighbor->request(this,instance_me);
} }

6
src/PERI/pair_peri_lps.cpp
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@ -450,9 +450,9 @@ void PairPeriLPS::init_style()
// find associated PERI_NEIGH fix that must exist // find associated PERI_NEIGH fix that must exist
// could have changed locations in fix list since created // could have changed locations in fix list since created
for (int i = 0; i < modify->nfix; i++) ifix_peri = modify->find_fix_by_style("^PERI_NEIGH");
if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i; if (ifix_peri == -1)
if (ifix_peri == -1) error->all(FLERR,"Fix peri neigh does not exist"); error->all(FLERR,"Fix peri neigh does not exist");
neighbor->request(this,instance_me); neighbor->request(this,instance_me);
} }

6
src/PERI/pair_peri_pmb.cpp
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@ -380,9 +380,9 @@ void PairPeriPMB::init_style()
// find associated PERI_NEIGH fix that must exist // find associated PERI_NEIGH fix that must exist
// could have changed locations in fix list since created // could have changed locations in fix list since created
for (int i = 0; i < modify->nfix; i++) ifix_peri = modify->find_fix_by_style("^PERI_NEIGH");
if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i; if (ifix_peri == -1)
if (ifix_peri == -1) error->all(FLERR,"Fix peri neigh does not exist"); error->all(FLERR,"Fix peri neigh does not exist");
neighbor->request(this,instance_me); neighbor->request(this,instance_me);
} }

6
src/PERI/pair_peri_ves.cpp
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@ -506,9 +506,9 @@ void PairPeriVES::init_style()
// find associated PERI_NEIGH fix that must exist // find associated PERI_NEIGH fix that must exist
// could have changed locations in fix list since created // could have changed locations in fix list since created
for (int i = 0; i < modify->nfix; i++) ifix_peri = modify->find_fix_by_style("^PERI_NEIGH");
if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i; if (ifix_peri == -1)
if (ifix_peri == -1) error->all(FLERR,"Fix peri neigh does not exist"); error->all(FLERR,"Fix peri neigh does not exist");
neighbor->request(this,instance_me); neighbor->request(this,instance_me);
} }

6
src/RIGID/fix_shake.cpp
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@ -32,6 +32,7 @@
#include "math_const.h" #include "math_const.h"
#include "memory.h" #include "memory.h"
#include "error.h" #include "error.h"
#include "utils.h"
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
using namespace FixConst; using namespace FixConst;
@ -360,9 +361,8 @@ void FixShake::init()
// could have changed locations in fix list since created // could have changed locations in fix list since created
// set ptrs to rRESPA variables // set ptrs to rRESPA variables
if (strstr(update->integrate_style,"respa")) { if (utils::strmatch(update->integrate_style,"^respa")) {
for (i = 0; i < modify->nfix; i++) ifix_respa = modify->find_fix_by_style("^RESPA");
if (strcmp(modify->fix[i]->style,"RESPA") == 0) ifix_respa = i;
nlevels_respa = ((Respa *) update->integrate)->nlevels; nlevels_respa = ((Respa *) update->integrate)->nlevels;
loop_respa = ((Respa *) update->integrate)->loop; loop_respa = ((Respa *) update->integrate)->loop;
step_respa = ((Respa *) update->integrate)->step; step_respa = ((Respa *) update->integrate)->step;

2
src/USER-MISC/fix_bond_react.cpp
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@ -113,7 +113,7 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
master_group = (char *) "bond_react_MASTER_group"; master_group = (char *) "bond_react_MASTER_group";
// by using fixed group names, only one instance of fix bond/react is allowed. // by using fixed group names, only one instance of fix bond/react is allowed.
if (modify->find_fix_by_style("bond/react") != -1) if (modify->find_fix_by_style("^bond/react") != -1)
error->all(FLERR,"Only one instance of fix bond/react allowed at a time"); error->all(FLERR,"Only one instance of fix bond/react allowed at a time");
// let's find number of reactions specified // let's find number of reactions specified

7
src/USER-OMP/pair_reaxc_omp.cpp
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@ -325,9 +325,10 @@ void PairReaxCOMP::init_style( )
// firstwarn = 1; // firstwarn = 1;
int iqeq = modify->find_fix_by_style("qeq/reax/omp"); bool have_qeq = ((modify->find_fix_by_style("^qeq/reax") != -1)
if (iqeq < 0 && qeqflag == 1) || (modify->find_fix_by_style("^qeq/shielded") != -1));
error->all(FLERR,"Pair reax/c/omp requires use of fix qeq/reax/omp"); if (!have_qeq && qeqflag == 1)
error->all(FLERR,"Pair reax/c requires use of fix qeq/reax or qeq/shielded");
system->n = atom->nlocal; // my atoms system->n = atom->nlocal; // my atoms
system->N = atom->nlocal + atom->nghost; // mine + ghosts system->N = atom->nlocal + atom->nghost; // mine + ghosts

11
src/USER-REAXC/pair_reaxc.cpp
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@ -39,6 +39,7 @@
#include "citeme.h" #include "citeme.h"
#include "memory.h" #include "memory.h"
#include "error.h" #include "error.h"
#include "utils.h"
#include "reaxc_defs.h" #include "reaxc_defs.h"
#include "reaxc_types.h" #include "reaxc_types.h"
@ -372,12 +373,10 @@ void PairReaxC::init_style( )
// firstwarn = 1; // firstwarn = 1;
int iqeq; bool have_qeq = ((modify->find_fix_by_style("^qeq/reax") != -1)
for (iqeq = 0; iqeq < modify->nfix; iqeq++) || (modify->find_fix_by_style("^qeq/shielded") != -1));
if (strstr(modify->fix[iqeq]->style,"qeq/reax") if (!have_qeq && qeqflag == 1)
|| strstr(modify->fix[iqeq]->style,"qeq/shielded")) break; error->all(FLERR,"Pair reax/c requires use of fix qeq/reax or qeq/shielded");
if (iqeq == modify->nfix && qeqflag == 1)
error->all(FLERR,"Pair reax/c requires use of fix qeq/reax");
system->n = atom->nlocal; // my atoms system->n = atom->nlocal; // my atoms
system->N = atom->nlocal + atom->nghost; // mine + ghosts system->N = atom->nlocal + atom->nghost; // mine + ghosts

2
src/modify.cpp
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@ -1029,7 +1029,7 @@ int Modify::find_fix_by_style(const char *style)
{ {
int ifix; int ifix;
for (ifix = 0; ifix < nfix; ifix++) for (ifix = 0; ifix < nfix; ifix++)
if (strcmp(style,fix[ifix]->style) == 0) break; if (utils::strmatch(fix[ifix]->style,style)) break;
if (ifix == nfix) return -1; if (ifix == nfix) return -1;
return ifix; return ifix;
} }