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[1D/Examples] eliminate unnecessary setting of tolerances

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For most problems, these new default tolerances for both time stepping and
steady state solves are more likely to converge than tighter tolerances, but
still give well-resolved results. Tighter tolerances are required in some cases,
e.g. when evaluating sensitivity coefficients by finite difference.
This commit is contained in:
Ray Speth 2016-03-25 15:03:44 -04:00
parent 059e657fe4
commit b56094b183
13 changed files with 5 additions and 86 deletions
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9
include/cantera/oneD/Domain1D.h
View file

@ -146,10 +146,11 @@ public:
m_name.resize(m_nv,"");
m_max.resize(m_nv, 0.0);
m_min.resize(m_nv, 0.0);
m_rtol_ss.resize(m_nv, 1.0e-8);
m_atol_ss.resize(m_nv, 1.0e-15);
m_rtol_ts.resize(m_nv, 1.0e-8);
m_atol_ts.resize(m_nv, 1.0e-15);
// Default error tolerances for all domains
m_rtol_ss.resize(m_nv, 1.0e-4);
m_atol_ss.resize(m_nv, 1.0e-9);
m_rtol_ts.resize(m_nv, 1.0e-4);
m_atol_ts.resize(m_nv, 1.0e-11);
m_points = np;
m_z.resize(np, 0.0);
m_slast.resize(m_nv * m_points, 0.0);

4
interfaces/cython/cantera/examples/kinetics/extract_submechanism.py
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@ -63,10 +63,6 @@ def solve_flame(gas):
sim.reactants.mdot = 0.12 # kg/m^2/s
sim.products.mdot = 0.06 # kg/m^2/s
sim.flame.set_steady_tolerances(default=[1.0e-7, 1.0e-13])
sim.flame.set_transient_tolerances(default=[1.0e-7, 1.0e-11])
sim.set_initial_guess()
sim.energy_enabled = False
sim.solve(0, refine_grid=False)
sim.set_refine_criteria(ratio=3, slope=0.1, curve=0.2)

5
interfaces/cython/cantera/examples/onedim/adiabatic_flame.py
View file

@ -12,8 +12,6 @@ Tin = 300.0 # unburned gas temperature [K]
reactants = 'H2:1.1, O2:1, AR:5' # premixed gas composition
width = 0.03 # m
tol_ss = [1.0e-5, 1.0e-13] # [rtol atol] for steady-state problem
tol_ts = [1.0e-4, 1.0e-13] # [rtol atol] for time stepping
loglevel = 1 # amount of diagnostic output (0 to 8)
refine_grid = True # 'True' to enable refinement, 'False' to disable
@ -24,9 +22,6 @@ gas.TPX = Tin, p, reactants
# Flame object
f = ct.FreeFlame(gas, width=width)
f.flame.set_steady_tolerances(default=tol_ss)
f.flame.set_transient_tolerances(default=tol_ts)
f.show_solution()
# Solve with the energy equation disabled

4
interfaces/cython/cantera/examples/onedim/burner_flame.py
View file

@ -11,8 +11,6 @@ mdot = 0.06
reactants = 'H2:1.5, O2:1, AR:7' # premixed gas composition
width = 0.5 # m
tol_ss = [1.0e-5, 1.0e-13] # [rtol atol] for steady-state problem
tol_ts = [1.0e-4, 1.0e-10] # [rtol atol] for time stepping
loglevel = 1 # amount of diagnostic output (0 to 5)
refine_grid = 1 # 1 to enable refinement, 0 to disable
@ -23,8 +21,6 @@ f = ct.BurnerFlame(gas, width=width)
f.burner.mdot = mdot
f.set_initial_guess()
f.flame.set_steady_tolerances(default=tol_ss)
f.flame.set_transient_tolerances(default=tol_ts)
f.show_solution()
f.energy_enabled = False

7
interfaces/cython/cantera/examples/onedim/diffusion_flame.py
View file

@ -18,9 +18,6 @@ comp_f = 'C2H6:1' # fuel composition
width = 0.02 # Distance between inlets is 2 cm
tol_ss = [1.0e-5, 1.0e-12] # [rtol, atol] for steady-state problem
tol_ts = [5.0e-4, 1.0e-11] # [rtol, atol] for time stepping
loglevel = 1 # amount of diagnostic output (0 to 5)
refine_grid = 1 # 1 to enable refinement, 0 to disable
@ -43,10 +40,6 @@ f.oxidizer_inlet.mdot = mdot_o
f.oxidizer_inlet.X = comp_o
f.oxidizer_inlet.T = tin_o
# Set error tolerances
f.flame.set_steady_tolerances(default=tol_ss)
f.flame.set_transient_tolerances(default=tol_ts)
# Set the boundary emissivities
f.set_boundary_emissivities(0.0, 0.0)
# Turn radiation off

5
interfaces/cython/cantera/examples/onedim/diffusion_flame_batch.py
View file

@ -50,13 +50,8 @@ f.oxidizer_inlet.mdot = 3.0 # kg/m^2/s
f.oxidizer_inlet.X = 'O2:1'
f.oxidizer_inlet.T = 300 # K
# Define relative and absolute error tolerances
f.flame.set_steady_tolerances(default=[1.0e-5, 1.0e-12])
f.flame.set_transient_tolerances(default=[5.0e-4, 1.0e-11])
# Set refinement parameters, if used
f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0.03)
f.set_grid_min(1e-20)
# Define a limit for the maximum temperature below which the flame is
# considered as extinguished and the computation is aborted

5
interfaces/cython/cantera/examples/onedim/diffusion_flame_extinction.py
View file

@ -43,15 +43,10 @@ f.oxidizer_inlet.mdot = 3.0 # kg/m^2/s
f.oxidizer_inlet.X = 'O2:1'
f.oxidizer_inlet.T = 500 # K
# Define relative and absolute error tolerances
f.flame.set_steady_tolerances(default=[1.0e-5, 1.0e-12])
f.flame.set_transient_tolerances(default=[5.0e-4, 1.0e-11])
# Enable refinement
refine = True
# Set refinement parameters
f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0.03)
f.set_grid_min(1e-20)
# Define a limit for the maximum temperature below which the flame is
# considered as extinguished and the computation is aborted

5
interfaces/cython/cantera/examples/onedim/flame_fixed_T.py
View file

@ -16,8 +16,6 @@ comp = 'CH4:0.65, O2:1, N2:3.76' # premixed gas composition
# The solution domain is chosen to be 1 cm
width = 0.01 # m
tol_ss = [1.0e-5, 1.0e-9] # [rtol atol] for steady-state problem
tol_ts = [1.0e-5, 1.0e-4] # [rtol atol] for time stepping
loglevel = 1 # amount of diagnostic output (0 to 5)
refine_grid = True # 'True' to enable refinement
@ -46,9 +44,6 @@ zloc /= max(zloc)
# set the temperature profile to the values read in
f.flame.set_fixed_temp_profile(zloc, tvalues)
f.flame.set_steady_tolerances(default=tol_ss)
f.flame.set_transient_tolerances(default=tol_ts)
# show the initial estimate for the solution
f.show_solution()

4
interfaces/cython/cantera/examples/onedim/premixed_counterflow_flame.py
View file

@ -18,8 +18,6 @@ rxnmech = 'h2o2.cti' # reaction mechanism file
comp = 'H2:1.6, O2:1, AR:7' # premixed gas composition
width = 0.2 # m
tol_ss = [1.0e-7, 1.0e-13] # [rtol atol] for steady-state problem
tol_ts = [1.0e-7, 1.0e-11] # [rtol atol] for time stepping
loglevel = 1 # amount of diagnostic output (0 to 5)
# Grid refinement parameters
@ -41,8 +39,6 @@ sim = ct.CounterflowPremixedFlame(gas=gas, width=width)
sim.reactants.mdot = mdot_reactants
sim.products.mdot = mdot_products
sim.flame.set_steady_tolerances(default=tol_ss)
sim.flame.set_transient_tolerances(default=tol_ts)
sim.set_initial_guess() # assume adiabatic equilibrium products
sim.show_solution()

4
interfaces/cython/cantera/examples/onedim/stagnation_flame.py
View file

@ -34,8 +34,6 @@ comp = 'H2:1.8, O2:1, AR:7' # premixed gas composition
# The solution domain is chosen to be 20 cm
width = 0.2 # m
tol_ss = [1.0e-5, 1.0e-13] # [rtol atol] for steady-state problem
tol_ts = [1.0e-4, 1.0e-9] # [rtol atol] for time stepping
loglevel = 1 # amount of diagnostic output (0 to 5)
refine_grid = True
@ -62,8 +60,6 @@ sim.inlet.mdot = mdot[0]
# set the surface state
sim.surface.T = tsurf
sim.flame.set_steady_tolerances(default=tol_ss)
sim.flame.set_transient_tolerances(default=tol_ts)
sim.set_grid_min(1e-4)
sim.energy_enabled = False

8
interfaces/cython/cantera/examples/surface_chemistry/catalytic_combustion.py
View file

@ -33,10 +33,6 @@ comp2 = 'CH4:0.095, O2:0.21, N2:0.78, AR:0.01'
# The inlet/surface separation is 10 cm.
width = 0.1 # m
# numerical parameters
tol_ss = [1.0e-5, 1.0e-9] # [rtol, atol] for steady-state problem
tol_ts = [1.0e-4, 1.0e-9] # [rtol, atol] for time stepping
loglevel = 1 # amount of diagnostic output (0 to 5)
refine_grid = True # enable or disable refinement
@ -74,10 +70,6 @@ sim.inlet.T = tinlet
sim.inlet.X = comp1
sim.surface.T = tsurf
# Set error tolerances
sim.flame.set_steady_tolerances(default=tol_ss)
sim.flame.set_transient_tolerances(default=tol_ts)
# Show the initial solution estimate
sim.show_solution()

4
src/oneD/StFlow.cpp
View file

@ -74,10 +74,6 @@ StFlow::StFlow(IdealGasPhase* ph, size_t nsp, size_t points) :
setBounds(4+k, -1.0e-7, 1.0e5);
}
//-------------------- default error tolerances ----------------
setTransientTolerances(1.0e-8, 1.0e-15);
setSteadyTolerances(1.0e-8, 1.0e-15);
//-------------------- grid refinement -------------------------
m_refiner->setActive(0, false);
m_refiner->setActive(1, false);

27
src/oneD/boundaries1D.cpp
View file

@ -112,10 +112,6 @@ void Inlet1D::init()
setBounds(0, -1e5, 1e5); // mdot
setBounds(1, 200.0, 1e5); // T
// set tolerances
setSteadyTolerances(1e-4, 1e-5);
setTransientTolerances(1e-4, 1e-5);
// if a flow domain is present on the left, then this must be a right inlet.
// Note that an inlet object can only be a terminal object - it cannot have
// flows on both the left and right
@ -265,10 +261,6 @@ string Empty1D::componentName(size_t n) const
void Empty1D::init()
{
setBounds(0, -1.0, 1.0);
// set tolerances
setSteadyTolerances(1e-4, 1e-4);
setTransientTolerances(1e-4, 1e-4);
}
void Empty1D::eval(size_t jg, doublereal* xg, doublereal* rg,
@ -317,10 +309,6 @@ void Symm1D::init()
{
_init(1);
setBounds(0, -1.0, 1.0);
// set tolerances
setSteadyTolerances(1e-4, 1e-4);
setTransientTolerances(1e-4, 1e-4);
}
void Symm1D::eval(size_t jg, doublereal* xg, doublereal* rg, integer* diagg,
@ -395,9 +383,6 @@ void Outlet1D::init()
_init(1);
setBounds(0, -1.0, 1.0);
// set tolerances
setSteadyTolerances(1e-4, 1e-4);
setTransientTolerances(1e-4, 1e-4);
if (m_flow_right) {
m_flow_right->setViscosityFlag(false);
}
@ -509,10 +494,6 @@ void OutletRes1D::init()
// set bounds (dummy)
setBounds(0, -1.0, 1.0);
// set tolerances
setSteadyTolerances(1e-4, 1e-4);
setTransientTolerances(1e-4, 1e-4);
if (m_flow_left) {
m_flow = m_flow_left;
} else if (m_flow_right) {
@ -639,10 +620,6 @@ void Surf1D::init()
_init(1);
// set bounds (T)
setBounds(0, 200.0, 1e5);
// set tolerances
setSteadyTolerances(1e-4, 1e-4);
setTransientTolerances(1e-4, 1e-4);
}
void Surf1D::eval(size_t jg, doublereal* xg, doublereal* rg,
@ -719,10 +696,6 @@ void ReactingSurf1D::init()
for (size_t n = 0; n < m_nsp; n++) {
setBounds(n+1, -1.0e-5, 2.0);
}
setSteadyTolerances(1.0e-5, 1.0e-9);
setTransientTolerances(1.0e-5, 1.0e-9);
setSteadyTolerances(1.0e-5, 1.0e-4, 0);
setTransientTolerances(1.0e-5, 1.0e-4, 0);
}
void ReactingSurf1D::resetBadValues(double* xg) {