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pycodegen
lbmpy
Commits
432c36a8
Commit
432c36a8
authored
6 years ago
by
Martin Bauer
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Bugfixes in lbm phasefield module
parent
447111eb
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Changes
3
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3 changed files
phasefield/eos.py
+3
-3
3 additions, 3 deletions
phasefield/eos.py
phasefield/phasefieldstep.py
+4
-7
4 additions, 7 deletions
phasefield/phasefieldstep.py
phasefield/scenarios.py
+0
-1
0 additions, 1 deletion
phasefield/scenarios.py
with
7 additions
and
11 deletions
phasefield/eos.py
+
3
−
3
View file @
432c36a8
...
@@ -50,11 +50,12 @@ def maxwell_construction(eos, tolerance=1e-4):
...
@@ -50,11 +50,12 @@ def maxwell_construction(eos, tolerance=1e-4):
max_rho
,
min_rho
,
_
=
critical_points
max_rho
,
min_rho
,
_
=
critical_points
max_p
,
min_p
=
eos
.
subs
(
rho
,
max_rho
),
eos
.
subs
(
rho
,
min_rho
)
max_p
,
min_p
=
eos
.
subs
(
rho
,
max_rho
),
eos
.
subs
(
rho
,
min_rho
)
shift_max
=
max_p
*
0.999
shift_max
=
max_p
*
0.999
shift_min
=
max
_p
*
0.0001
shift_min
=
max
(
0
,
min_p
)
c
=
(
shift_max
+
shift_min
)
/
2
c
=
(
shift_max
+
shift_min
)
/
2
deviation
=
tolerance
*
2
deviation
=
tolerance
*
2
while
abs
(
deviation
)
>
tolerance
:
while
abs
(
deviation
)
>
tolerance
:
print
(
"
Deviation
"
,
deviation
,
"
Shift
"
,
c
)
zeros
=
sp
.
solve
(
eos
-
c
)
zeros
=
sp
.
solve
(
eos
-
c
)
integral_bounds
=
(
min
(
zeros
),
max
(
zeros
))
integral_bounds
=
(
min
(
zeros
),
max
(
zeros
))
deviation
=
get_deviation
(
float
(
integral_bounds
[
0
]),
float
(
integral_bounds
[
1
]),
float
(
c
))
deviation
=
get_deviation
(
float
(
integral_bounds
[
0
]),
float
(
integral_bounds
[
1
]),
float
(
c
))
...
@@ -87,4 +88,3 @@ def carnahan_starling_eos(density, gas_constant, temperature, a, b):
...
@@ -87,4 +88,3 @@ def carnahan_starling_eos(density, gas_constant, temperature, a, b):
def
carnahan_starling_critical_temperature
(
a
,
b
,
gas_constant
):
def
carnahan_starling_critical_temperature
(
a
,
b
,
gas_constant
):
return
0.3773
*
a
/
b
/
gas_constant
return
0.3773
*
a
/
b
/
gas_constant
This diff is collapsed.
Click to expand it.
phasefield/phasefieldstep.py
+
4
−
7
View file @
432c36a8
...
@@ -309,13 +309,10 @@ class PhaseFieldStep:
...
@@ -309,13 +309,10 @@ class PhaseFieldStep:
last_index
=
None
last_index
=
None
phi
=
self
.
phi_slice
(
slice_obj
)
phi
=
self
.
phi_slice
(
slice_obj
)
if
self
.
order_parameters_to_concentrations
is
None
:
result
=
self
.
order_parameters_to_concentrations
(
phi
)
if
self
.
order_parameters_to_concentrations
else
phi
return
phi
if
last_index
is
not
None
:
else
:
result
=
result
[...,
last_index
]
result
=
self
.
order_parameters_to_concentrations
(
phi
)
return
result
if
last_index
is
not
None
:
result
=
result
[...,
last_index
]
return
result
def
mu_slice
(
self
,
slice_obj
=
None
):
def
mu_slice
(
self
,
slice_obj
=
None
):
return
self
.
_get_slice
(
self
.
mu_field_name
,
slice_obj
)
return
self
.
_get_slice
(
self
.
mu_field_name
,
slice_obj
)
...
...
This diff is collapsed.
Click to expand it.
phasefield/scenarios.py
+
0
−
1
View file @
432c36a8
...
@@ -36,7 +36,6 @@ def create_three_phase_model(alpha=1, kappa=(0.015, 0.015, 0.015), include_rho=T
...
@@ -36,7 +36,6 @@ def create_three_phase_model(alpha=1, kappa=(0.015, 0.015, 0.015), include_rho=T
return
PhaseFieldStep
(
free_energy
,
order_parameters
,
density_order_parameter
=
None
,
return
PhaseFieldStep
(
free_energy
,
order_parameters
,
density_order_parameter
=
None
,
transformation_matrix
=
transformation_matrix
,
transformation_matrix
=
transformation_matrix
,
order_parameters_to_concentrations
=
order_parameters_to_concentrations
,
order_parameters_to_concentrations
=
order_parameters_to_concentrations
,
cahn_hilliard_gammas
=
[
1
,
1
,
1
/
3
],
**
kwargs
)
**
kwargs
)
...
...
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Click to expand it.
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