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Ensuring fix order

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This commit is contained in:
jtclemm
2023-02-21 10:17:15 -07:00
parent 1adc66e82b
commit c715552f7e
3 changed files with 19 additions and 5 deletions
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18
src/RHEO/fix_rheo.cpp
View File

@ -197,8 +197,22 @@ void FixRHEO::init()
void FixRHEO::setup_pre_force(int /*vflag*/)
{
//Need to rethink and replan
// Check to confirm no accessory fixes are yet defined
// FixRHEO must be the first fix
// Note: these fixes set this flag in setup_pre_force()
if (viscosity_fix_defined || pressure_fix_defined || thermal_fix_defined || surface_fix_defined)
error->all(FLERR, "Fix RHEO must be defined before all other RHEO fixes");
pre_force(0);
}
/* ---------------------------------------------------------------------- */
void FixRHEO::setup()
{
// Check to confirm all accessory fixes are defined
// Does not ensure fixes correctly cover all atoms (could be a subset group)
// Note: these fixes set this flag in setup_pre_force()
if (!viscosity_fix_defined)
error->all(FLERR, "Missing fix rheo/viscosity");
@ -216,8 +230,6 @@ void FixRHEO::setup_pre_force(int /*vflag*/)
viscosity_fix_defined = 0;
pressure_fix_defined = 0;
surface_fix_defined = 0;
pre_force(0);
}
/* ---------------------------------------------------------------------- */

3
src/RHEO/fix_rheo_thermal.cpp
View File

@ -149,7 +149,6 @@ void FixRHEOThermal::init()
if (fixes.size() == 0) error->all(FLERR, "Need to define fix rheo to use fix rheo/viscosity");
fix_rheo = dynamic_cast<FixRHEO *>(fixes[0]);
fix_rheo->thermal_fix_defined = 1;
if (!fix_rheo->thermal_flag)
error->all(FLERR, "Need to define thermal setting in fix rheo");
compute_grad = fix_rheo->compute_grad;
@ -162,6 +161,8 @@ void FixRHEOThermal::init()
void FixRHEOThermal::setup_pre_force(int /*vflag*/)
{
fix_rheo->thermal_fix_defined = 1;
// Identify whether this is the first/last instance of fix thermal
// First will handle growing arrays
// Last will handle communication

3
src/RHEO/fix_rheo_viscosity.cpp
View File

@ -102,7 +102,6 @@ void FixRHEOViscosity::init()
if (fixes.size() == 0) error->all(FLERR, "Need to define fix rheo to use fix rheo/viscosity");
fix_rheo = dynamic_cast<FixRHEO *>(fixes[0]);
fix_rheo->viscosity_fix_defined = 1;
compute_grad = fix_rheo->compute_grad;
}
@ -110,6 +109,8 @@ void FixRHEOViscosity::init()
void FixRHEOViscosity::setup_pre_force(int /*vflag*/)
{
fix_rheo->viscosity_fix_defined = 1;
// Identify whether this is the first/last instance of fix viscosity
// First will handle growing arrays
// Last will handle communication