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pycodegen
lbmpy
Commits
1e5fc1b9
Commit
1e5fc1b9
authored
7 years ago
by
Martin Bauer
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Plain Diff
Renamed misleading discretization function
parent
e475d0e1
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2
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2 changed files
phasefield/analytical.py
+12
-5
12 additions, 5 deletions
phasefield/analytical.py
phasefield/kerneleqs.py
+5
-5
5 additions, 5 deletions
phasefield/kerneleqs.py
with
17 additions
and
10 deletions
phasefield/analytical.py
+
12
−
5
View file @
1e5fc1b9
...
@@ -61,7 +61,8 @@ def freeEnergyFunction3Phases(orderParameters=None, interfaceWidth=interfaceWidt
...
@@ -61,7 +61,8 @@ def freeEnergyFunction3Phases(orderParameters=None, interfaceWidth=interfaceWidt
def
freeEnergyFunctionalNPhases
(
numPhases
=
None
,
surfaceTensions
=
symmetricSymbolicSurfaceTension
,
def
freeEnergyFunctionalNPhases
(
numPhases
=
None
,
surfaceTensions
=
symmetricSymbolicSurfaceTension
,
interfaceWidth
=
interfaceWidthSymbol
,
orderParameters
=
None
,
interfaceWidth
=
interfaceWidthSymbol
,
orderParameters
=
None
,
includeBulk
=
True
,
includeInterface
=
True
,
symbolicLambda
=
False
):
includeBulk
=
True
,
includeInterface
=
True
,
symbolicLambda
=
False
,
symbolicDependentVariable
=
False
):
r
"""
r
"""
Returns a symbolic expression for the free energy of a system with N phases and
Returns a symbolic expression for the free energy of a system with N phases and
specified surface tensions. The total free energy is the sum of a bulk and an interface component.
specified surface tensions. The total free energy is the sum of a bulk and an interface component.
...
@@ -89,6 +90,9 @@ def freeEnergyFunctionalNPhases(numPhases=None, surfaceTensions=symmetricSymboli
...
@@ -89,6 +90,9 @@ def freeEnergyFunctionalNPhases(numPhases=None, surfaceTensions=symmetricSymboli
Parameter useful for viewing / debugging the function
Parameter useful for viewing / debugging the function
:param includeBulk: if false no bulk term is added
:param includeBulk: if false no bulk term is added
:param includeInterface:if false no interface contribution is added
:param includeInterface:if false no interface contribution is added
:param symbolicLambda: surface energy coefficient is represented by symbol, not in expanded form
:param symbolicDependentVariable: last phase variable is defined as 1-otherPhaseVars, if this is set to True
it is represented by phi_A for better readability
"""
"""
assert
not
(
numPhases
is
None
and
orderParameters
is
None
)
assert
not
(
numPhases
is
None
and
orderParameters
is
None
)
if
orderParameters
is
None
:
if
orderParameters
is
None
:
...
@@ -97,7 +101,10 @@ def freeEnergyFunctionalNPhases(numPhases=None, surfaceTensions=symmetricSymboli
...
@@ -97,7 +101,10 @@ def freeEnergyFunctionalNPhases(numPhases=None, surfaceTensions=symmetricSymboli
phi
=
orderParameters
phi
=
orderParameters
numPhases
=
len
(
phi
)
+
1
numPhases
=
len
(
phi
)
+
1
phi
=
tuple
(
phi
)
+
(
1
-
sum
(
phi
),)
if
not
symbolicDependentVariable
:
phi
=
tuple
(
phi
)
+
(
1
-
sum
(
phi
),)
else
:
phi
=
tuple
(
phi
)
+
(
sp
.
Symbol
(
"
phi_D
"
),
)
# Compared to handwritten notes we scale the interface width parameter here to obtain the correct
# Compared to handwritten notes we scale the interface width parameter here to obtain the correct
# equations for the interface profile and the surface tensions i.e. to pass tests
# equations for the interface profile and the surface tensions i.e. to pass tests
...
@@ -109,11 +116,11 @@ def freeEnergyFunctionalNPhases(numPhases=None, surfaceTensions=symmetricSymboli
...
@@ -109,11 +116,11 @@ def freeEnergyFunctionalNPhases(numPhases=None, surfaceTensions=symmetricSymboli
def
lambdaCoeff
(
k
,
l
):
def
lambdaCoeff
(
k
,
l
):
if
symbolicLambda
:
if
symbolicLambda
:
return
sp
.
Symbol
(
"
Lambda_%d%d
"
%
((
k
,
l
)
if
k
<
l
else
(
l
,
k
)))
return
sp
.
Symbol
(
"
Lambda_%d%d
"
%
((
k
,
l
)
if
k
<
l
else
(
l
,
k
)))
N
=
numPhases
-
1
N
=
numPhases
-
1
if
k
==
l
:
if
k
==
l
:
assert
surfaceTensions
(
l
,
l
)
==
0
assert
surfaceTensions
(
l
,
l
)
==
0
return
3
/
sp
.
sqrt
(
2
)
*
interfaceWidth
*
(
surfaceTensions
(
k
,
N
)
+
surfaceTensions
(
l
,
N
)
-
surfaceTensions
(
k
,
l
))
return
3
/
sp
.
sqrt
(
2
)
*
interfaceWidth
*
(
surfaceTensions
(
k
,
N
)
+
surfaceTensions
(
l
,
N
)
-
surfaceTensions
(
k
,
l
))
def
bulkTerm
(
i
,
j
):
def
bulkTerm
(
i
,
j
):
return
surfaceTensions
(
i
,
j
)
/
2
*
(
f
(
phi
[
i
])
+
f
(
phi
[
j
])
-
f
(
phi
[
i
]
+
phi
[
j
]))
return
surfaceTensions
(
i
,
j
)
/
2
*
(
f
(
phi
[
i
])
+
f
(
phi
[
j
])
-
f
(
phi
[
i
]
+
phi
[
j
]))
...
@@ -234,7 +241,7 @@ def coshIntegral(f, var):
...
@@ -234,7 +241,7 @@ def coshIntegral(f, var):
return
sp
.
integrate
(
transformedInt
.
args
[
0
],
(
transformedInt
.
args
[
1
][
0
],
-
sp
.
oo
,
sp
.
oo
))
return
sp
.
integrate
(
transformedInt
.
args
[
0
],
(
transformedInt
.
args
[
1
][
0
],
-
sp
.
oo
,
sp
.
oo
))
def
discretizeSecondDerivatives
(
term
,
dx
=
1
):
def
finiteDifferences2ndOrder
(
term
,
dx
=
1
):
"""
Substitutes symbolic integral of field access by second order accurate finite differences.
"""
Substitutes symbolic integral of field access by second order accurate finite differences.
The only valid argument of Diff objects are field accesses (usually center field accesses)
"""
The only valid argument of Diff objects are field accesses (usually center field accesses)
"""
def
diffOrder
(
e
):
def
diffOrder
(
e
):
...
...
This diff is collapsed.
Click to expand it.
phasefield/kerneleqs.py
+
5
−
5
View file @
1e5fc1b9
import
sympy
as
sp
import
sympy
as
sp
from
lbmpy.phasefield.analytical
import
chemicalPotentialsFromFreeEnergy
,
substituteLaplacianBySum
,
\
from
lbmpy.phasefield.analytical
import
chemicalPotentialsFromFreeEnergy
,
substituteLaplacianBySum
,
\
discretizeSecondDerivatives
,
forceFromPhiAndMu
,
symmetricTensorLinearization
,
pressureTensorFromFreeEnergy
,
\
finiteDifferences2ndOrder
,
forceFromPhiAndMu
,
symmetricTensorLinearization
,
pressureTensorFromFreeEnergy
,
\
forceFromPressureTensor
forceFromPressureTensor
...
@@ -14,7 +14,7 @@ def muKernel(freeEnergy, orderParameters, phiField, muField, dx=1):
...
@@ -14,7 +14,7 @@ def muKernel(freeEnergy, orderParameters, phiField, muField, dx=1):
chemicalPotential
=
chemicalPotentialsFromFreeEnergy
(
freeEnergy
,
orderParameters
)
chemicalPotential
=
chemicalPotentialsFromFreeEnergy
(
freeEnergy
,
orderParameters
)
chemicalPotential
=
substituteLaplacianBySum
(
chemicalPotential
,
dim
)
chemicalPotential
=
substituteLaplacianBySum
(
chemicalPotential
,
dim
)
chemicalPotential
=
chemicalPotential
.
subs
({
op
:
phiField
(
i
)
for
i
,
op
in
enumerate
(
orderParameters
)})
chemicalPotential
=
chemicalPotential
.
subs
({
op
:
phiField
(
i
)
for
i
,
op
in
enumerate
(
orderParameters
)})
return
[
sp
.
Eq
(
muField
(
i
),
discretizeSecondDerivatives
(
mu_i
,
dx
))
for
i
,
mu_i
in
enumerate
(
chemicalPotential
)]
return
[
sp
.
Eq
(
muField
(
i
),
finiteDifferences2ndOrder
(
mu_i
,
dx
))
for
i
,
mu_i
in
enumerate
(
chemicalPotential
)]
def
forceKernelUsingMu
(
forceField
,
phiField
,
muField
,
dx
=
1
):
def
forceKernelUsingMu
(
forceField
,
phiField
,
muField
,
dx
=
1
):
...
@@ -22,7 +22,7 @@ def forceKernelUsingMu(forceField, phiField, muField, dx=1):
...
@@ -22,7 +22,7 @@ def forceKernelUsingMu(forceField, phiField, muField, dx=1):
assert
muField
.
indexDimensions
==
1
assert
muField
.
indexDimensions
==
1
force
=
forceFromPhiAndMu
(
phiField
.
vecCenter
,
mu
=
muField
.
vecCenter
,
dim
=
muField
.
spatialDimensions
)
force
=
forceFromPhiAndMu
(
phiField
.
vecCenter
,
mu
=
muField
.
vecCenter
,
dim
=
muField
.
spatialDimensions
)
return
[
sp
.
Eq
(
forceField
(
i
),
return
[
sp
.
Eq
(
forceField
(
i
),
discretizeSecondDerivatives
(
f_i
,
dx
)).
expand
()
for
i
,
f_i
in
enumerate
(
force
)]
finiteDifferences2ndOrder
(
f_i
,
dx
)).
expand
()
for
i
,
f_i
in
enumerate
(
force
)]
def
pressureTensorKernel
(
freeEnergy
,
orderParameters
,
phiField
,
pressureTensorField
,
dx
=
1
):
def
pressureTensorKernel
(
freeEnergy
,
orderParameters
,
phiField
,
pressureTensorField
,
dx
=
1
):
...
@@ -34,7 +34,7 @@ def pressureTensorKernel(freeEnergy, orderParameters, phiField, pressureTensorFi
...
@@ -34,7 +34,7 @@ def pressureTensorKernel(freeEnergy, orderParameters, phiField, pressureTensorFi
eqs
=
[]
eqs
=
[]
for
index
,
linIndex
in
indexMap
.
items
():
for
index
,
linIndex
in
indexMap
.
items
():
eq
=
sp
.
Eq
(
pressureTensorField
(
linIndex
),
eq
=
sp
.
Eq
(
pressureTensorField
(
linIndex
),
discretizeSecondDerivatives
(
p
[
index
],
dx
).
expand
())
finiteDifferences2ndOrder
(
p
[
index
],
dx
).
expand
())
eqs
.
append
(
eq
)
eqs
.
append
(
eq
)
return
eqs
return
eqs
...
@@ -45,7 +45,7 @@ def forceKernelUsingPressureTensor(forceField, pressureTensorField, dx=1):
...
@@ -45,7 +45,7 @@ def forceKernelUsingPressureTensor(forceField, pressureTensorField, dx=1):
p
=
sp
.
Matrix
(
dim
,
dim
,
lambda
i
,
j
:
pressureTensorField
(
indexMap
[
i
,
j
]
if
i
<
j
else
indexMap
[
j
,
i
]))
p
=
sp
.
Matrix
(
dim
,
dim
,
lambda
i
,
j
:
pressureTensorField
(
indexMap
[
i
,
j
]
if
i
<
j
else
indexMap
[
j
,
i
]))
f
=
forceFromPressureTensor
(
p
)
f
=
forceFromPressureTensor
(
p
)
return
[
sp
.
Eq
(
forceField
(
i
),
discretizeSecondDerivatives
(
f_i
,
dx
).
expand
())
return
[
sp
.
Eq
(
forceField
(
i
),
finiteDifferences2ndOrder
(
f_i
,
dx
).
expand
())
for
i
,
f_i
in
enumerate
(
f
)]
for
i
,
f_i
in
enumerate
(
f
)]
...
...
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