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turn errors from manybody potentials for */tally computes into warnings

This commit is contained in:
Axel Kohlmeyer 2017-04-22 21:50:27 -04:00
parent 197ce4580b
commit 0ac22e034c
5 changed files with 11 additions and 11 deletions
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4
src/USER-TALLY/compute_force_tally.cpp
View File

@ -65,12 +65,12 @@ ComputeForceTally::~ComputeForceTally()
void ComputeForceTally::init()
{
if (force->pair == NULL)
error->all(FLERR,"Trying to use compute force/tally with no pair style");
error->all(FLERR,"Trying to use compute force/tally without pair style");
else
force->pair->add_tally_callback(this);
if (force->pair->single_enable == 0 || force->pair->manybody_flag)
error->all(FLERR,"Compute force/tally used with incompatible pair style.");
error->warning(FLERR,"Compute force/tally used with incompatible pair style");
if ((comm->me == 0) && (force->bond || force->angle || force->dihedral
|| force->improper || force->kspace))

4
src/USER-TALLY/compute_heat_flux_tally.cpp
View File

@ -64,12 +64,12 @@ ComputeHeatFluxTally::~ComputeHeatFluxTally()
void ComputeHeatFluxTally::init()
{
if (force->pair == NULL)
error->all(FLERR,"Trying to use compute heat/flux/tally with no pair style");
error->all(FLERR,"Trying to use compute heat/flux/tally without pair style");
else
force->pair->add_tally_callback(this);
if (force->pair->single_enable == 0 || force->pair->manybody_flag)
error->all(FLERR,"Compute heat/flux/tally used with incompatible pair style.");
error->warning(FLERR,"Compute heat/flux/tally used with incompatible pair style");
if ((comm->me == 0) && (force->bond || force->angle || force->dihedral
|| force->improper || force->kspace))

6
src/USER-TALLY/compute_pe_mol_tally.cpp
View File

@ -59,15 +59,15 @@ ComputePEMolTally::~ComputePEMolTally()
void ComputePEMolTally::init()
{
if (force->pair == NULL)
error->all(FLERR,"Trying to use compute pe/mol/tally with no pair style");
error->all(FLERR,"Trying to use compute pe/mol/tally without pair style");
else
force->pair->add_tally_callback(this);
if (atom->molecule_flag == 0)
error->all(FLERR,"Compute pe/mol/tally requires molecule IDs.");
error->all(FLERR,"Compute pe/mol/tally requires molecule IDs");
if (force->pair->single_enable == 0 || force->pair->manybody_flag)
error->all(FLERR,"Compute pe/mol/tally used with incompatible pair style.");
error->warning(FLERR,"Compute pe/mol/tally used with incompatible pair style");
if ((comm->me == 0) && (force->bond || force->angle || force->dihedral
|| force->improper || force->kspace))

4
src/USER-TALLY/compute_pe_tally.cpp
View File

@ -64,12 +64,12 @@ ComputePETally::~ComputePETally()
void ComputePETally::init()
{
if (force->pair == NULL)
error->all(FLERR,"Trying to use compute pe/tally with no pair style");
error->all(FLERR,"Trying to use compute pe/tally without a pair style");
else
force->pair->add_tally_callback(this);
if (force->pair->single_enable == 0 || force->pair->manybody_flag)
error->all(FLERR,"Compute pe/tally used with incompatible pair style.");
error->warning(FLERR,"Compute pe/tally used with incompatible pair style");
if ((comm->me == 0) && (force->bond || force->angle || force->dihedral
|| force->improper || force->kspace))

4
src/USER-TALLY/compute_stress_tally.cpp
View File

@ -65,12 +65,12 @@ ComputeStressTally::~ComputeStressTally()
void ComputeStressTally::init()
{
if (force->pair == NULL)
error->all(FLERR,"Trying to use compute stress/tally with no pair style");
error->all(FLERR,"Trying to use compute stress/tally without pair style");
else
force->pair->add_tally_callback(this);
if (force->pair->single_enable == 0 || force->pair->manybody_flag)
error->all(FLERR,"Compute stress/tally used with incompatible pair style.");
error->warning(FLERR,"Compute stress/tally used with incompatible pair style");
if ((comm->me == 0) && (force->bond || force->angle || force->dihedral
|| force->improper || force->kspace))