Commit 0ac22e03 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

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

parent 197ce458

src/USER-TALLY/compute_force_tally.cpp

+2 −2
Original line number Diff line number Diff line
@@ -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))

src/USER-TALLY/compute_heat_flux_tally.cpp

+2 −2
Original line number Diff line number Diff line
@@ -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))

src/USER-TALLY/compute_pe_mol_tally.cpp

+3 −3
Original line number Diff line number Diff line
@@ -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))

src/USER-TALLY/compute_pe_tally.cpp

+2 −2
Original line number Diff line number Diff line
@@ -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))

src/USER-TALLY/compute_stress_tally.cpp

+2 −2
Original line number Diff line number Diff line
@@ -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))

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