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Alvarez, Gonzalo
LanczosPlusPlus
Commits
96cf1a1d
Commit
96cf1a1d
authored
5 years ago
by
Alvarez, Gonzalo
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RashbaSOC: without Rashba works
parent
576bbc24
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2
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2 changed files
src/Models/HubbardOneOrbital/BasisOneSpin.h
+12
-9
12 additions, 9 deletions
src/Models/HubbardOneOrbital/BasisOneSpin.h
src/Models/HubbardOneOrbitalRashbaSOC/BasisRashbaSOC.h
+72
-42
72 additions, 42 deletions
src/Models/HubbardOneOrbitalRashbaSOC/BasisRashbaSOC.h
with
84 additions
and
51 deletions
src/Models/HubbardOneOrbital/BasisOneSpin.h
+
12
−
9
View file @
96cf1a1d
...
...
@@ -88,27 +88,27 @@ namespace LanczosPlusPlus {
SizeType
electrons
()
const
{
return
npart_
;
}
SizeType
isThereAnElectronAt
(
WordType
ket
,
SizeType
site
)
const
static
SizeType
isThereAnElectronAt
(
WordType
ket
,
SizeType
site
)
{
return
(
ket
&
bitmask_
[
site
])
?
1
:
0
;
}
SizeType
getN
(
WordType
ket
,
SizeType
site
)
const
static
SizeType
getN
(
WordType
ket
,
SizeType
site
)
{
return
isThereAnElectronAt
(
ket
,
site
);
}
int
doSign
(
WordType
a
,
SizeType
i
)
const
static
int
doSign
(
WordType
a
,
SizeType
i
)
{
if
(
i
==
nsite_
-
1
)
return
1
;
if
(
i
==
nsite_
-
1
)
return
1
;
a
&=
((
1
<<
(
i
+
1
))
-
1
)
^
((
1
<<
nsite_
)
-
1
);
// Parity of single occupied between i and nsite-1
int
s
=
(
PsimagLite
::
BitManip
::
count
(
a
)
&
1
)
?
FERMION_SIGN
:
1
;
int
s
=
(
PsimagLite
::
BitManip
::
count
(
a
)
&
1
)
?
FERMION_SIGN
:
1
;
return
s
;
}
int
doSign
(
WordType
ket
,
SizeType
i
,
SizeType
j
)
const
static
int
doSign
(
WordType
ket
,
SizeType
i
,
SizeType
j
)
{
assert
(
i
<=
j
);
SizeType
x0
=
(
i
+
1
);
// i+1 cannot be the last site, 'cause i<j
...
...
@@ -170,9 +170,11 @@ namespace LanczosPlusPlus {
}
}
static
SizeType
comb
(
SizeType
n
,
SizeType
m
)
{
return
comb_
(
n
,
m
);
}
private
:
SizeType
getNbyKet
(
SizeType
ket
,
SizeType
from
,
SizeType
upto
)
const
static
SizeType
getNbyKet
(
SizeType
ket
,
SizeType
from
,
SizeType
upto
)
{
SizeType
sum
=
0
;
SizeType
counter
=
from
;
...
...
@@ -180,13 +182,14 @@ namespace LanczosPlusPlus {
if
(
ket
&
bitmask_
[
counter
])
sum
++
;
counter
++
;
}
return
sum
;
}
void
doCombinatorial
()
static
void
doCombinatorial
()
{
/* look-up table for binomial coefficients */
comb_
.
resize
(
2
*
nsite_
,
2
*
nsite_
,
0
);
comb_
.
resize
(
2
*
nsite_
+
2
,
2
*
nsite_
+
2
,
0
);
for
(
SizeType
n
=
0
;
n
<
comb_
.
n_row
();
n
++
)
{
SizeType
m
=
0
;
...
...
This diff is collapsed.
Click to expand it.
src/Models/HubbardOneOrbitalRashbaSOC/BasisRashbaSOC.h
+
72
−
42
View file @
96cf1a1d
...
...
@@ -19,14 +19,36 @@ public:
typedef
BasisOneSpin
BasisType
;
typedef
BasisBase
<
GeometryType
>
BaseType
;
typedef
typename
BaseType
::
WordType
WordType
;
typedef
std
::
pair
<
WordType
,
WordType
>
PairWordType
;
typedef
typename
PsimagLite
::
Vector
<
PairWordType
>::
Type
VectorPairWordType
;
typedef
typename
BaseType
::
VectorWordType
VectorWordType
;
typedef
typename
BaseType
::
LabeledOperatorType
LabeledOperatorType
;
static
int
const
FERMION_SIGN
=
BasisType
::
FERMION_SIGN
;
BasisRashbaSOC
(
const
GeometryType
&
geometry
,
SizeType
ne
)
:
ne_
(
ne
),
basis_
(
geometry
.
numberOfSites
(),
ne
)
{}
:
ne_
(
ne
)
{
const
SizeType
nsite
=
geometry
.
numberOfSites
();
BasisOneSpin
bogus
(
nsite
,
1
);
// does the comb
const
SizeType
hilbert
=
BasisOneSpin
::
comb
(
2
*
nsite
,
ne
);
data_
.
resize
(
hilbert
);
SizeType
k
=
0
;
for
(
SizeType
ndown
=
0
;
ndown
<=
ne
;
++
ndown
)
{
const
SizeType
nup
=
ne
-
ndown
;
BasisOneSpin
basisUp
(
nsite
,
nup
);
BasisOneSpin
basisDown
(
nsite
,
ndown
);
const
SizeType
sizeUp
=
basisUp
.
size
();
const
SizeType
sizeDown
=
basisDown
.
size
();
for
(
SizeType
i
=
0
;
i
<
sizeUp
;
++
i
)
{
for
(
SizeType
j
=
0
;
j
<
sizeDown
;
++
j
)
{
data_
[
k
++
]
=
PairWordType
(
basisUp
[
i
],
basisDown
[
j
]);
}
}
}
assert
(
k
==
hilbert
);
}
PairIntType
parts
()
const
{
...
...
@@ -38,7 +60,7 @@ public:
return
BasisType
::
bitmask
(
i
);
}
SizeType
size
()
const
{
return
basis
_
.
size
();
}
SizeType
size
()
const
{
return
data
_
.
size
();
}
//! Spin up and spin down
SizeType
dofs
()
const
...
...
@@ -58,7 +80,10 @@ public:
SizeType
perfectIndex
(
WordType
ket1
,
WordType
ket2
)
const
{
throw
PsimagLite
::
RuntimeError
(
"dofs() perfectIndex
\n
"
);
const
PairWordType
p
(
ket1
,
ket2
);
auto
it
=
std
::
find
(
data_
.
begin
(),
data_
.
end
(),
p
);
if
(
it
!=
data_
.
end
())
return
it
-
data_
.
begin
();
throw
PsimagLite
::
RuntimeError
(
"perfectIndex(): Index not found for state
\n
"
);
}
SizeType
perfectIndex
(
WordType
newKet
,
...
...
@@ -70,55 +95,59 @@ public:
WordType
operator
()(
SizeType
i
,
SizeType
spin
)
const
{
throw
PsimagLite
::
RuntimeError
(
"operator()
\n
"
);
assert
(
i
<
data_
.
size
());
return
(
spin
==
ProgramGlobals
::
SPIN_UP
)
?
data_
[
i
].
first
:
data_
[
i
].
second
;
}
PairIntType
getBraIndex
(
WordType
ket1
,
WordType
ket2
,
const
LabeledOperatorType
&
,
SizeType
site
,
SizeType
spin
,
SizeType
orb
)
const
WordType
ket2
,
const
LabeledOperatorType
&
,
SizeType
site
,
SizeType
spin
,
SizeType
orb
)
const
{
throw
PsimagLite
::
RuntimeError
(
"getBraIndex()
\n
"
);
}
int
doSign
(
WordType
ket1
,
WordType
ket2
,
SizeType
i
,
SizeType
orb1
,
SizeType
j
,
SizeType
orb2
,
SizeType
spin
)
const
WordType
ket2
,
SizeType
i
,
SizeType
orb1
,
SizeType
j
,
SizeType
orb2
,
SizeType
spin
)
const
{
throw
PsimagLite
::
RuntimeError
(
"doSign()
\n
"
);
assert
(
i
<=
j
);
return
(
spin
==
SPIN_UP
)
?
BasisOneSpin
::
doSign
(
ket1
,
i
,
j
)
:
BasisOneSpin
::
doSign
(
ket2
,
i
,
j
);
}
int
doSignGf
(
WordType
a
,
WordType
b
,
SizeType
ind
,
SizeType
spin
,
SizeType
orb
)
const
WordType
b
,
SizeType
ind
,
SizeType
spin
,
SizeType
orb
)
const
{
throw
PsimagLite
::
RuntimeError
(
"doSignGf()
\n
"
);
}
int
doSignSpSm
(
WordType
a
,
WordType
b
,
SizeType
ind
,
SizeType
spin
,
SizeType
orb
)
const
WordType
b
,
SizeType
ind
,
SizeType
spin
,
SizeType
orb
)
const
{
return
1
;
}
SizeType
isThereAnElectronAt
(
WordType
ket1
,
WordType
ket2
,
SizeType
site
,
SizeType
spin
,
SizeType
orb
)
const
WordType
ket2
,
SizeType
site
,
SizeType
spin
,
SizeType
)
const
{
throw
PsimagLite
::
RuntimeError
(
"isThereAnElectronAt()
\n
"
);
return
(
spin
==
ProgramGlobals
::
SPIN_UP
)
?
BasisOneSpin
::
isThereAnElectronAt
(
ket1
,
site
)
:
BasisOneSpin
::
isThereAnElectronAt
(
ket2
,
site
);
}
SizeType
orbsPerSite
(
SizeType
i
)
const
{
return
1
;
}
...
...
@@ -126,20 +155,21 @@ public:
SizeType
orbs
()
const
{
return
1
;
}
SizeType
getN
(
WordType
ket1
,
WordType
ket2
,
SizeType
site
,
SizeType
spin
,
SizeType
orb
)
const
WordType
ket2
,
SizeType
site
,
SizeType
spin
,
SizeType
)
const
{
throw
PsimagLite
::
RuntimeError
(
"getN()
\n
"
);
return
(
spin
==
ProgramGlobals
::
SPIN_UP
)
?
BasisOneSpin
::
getN
(
ket1
,
site
)
:
BasisOneSpin
::
getN
(
ket2
,
site
);
}
bool
getBra
(
WordType
&
,
WordType
,
WordType
,
const
LabeledOperatorType
&
,
SizeType
,
SizeType
)
const
WordType
,
WordType
,
const
LabeledOperatorType
&
,
SizeType
,
SizeType
)
const
{
throw
PsimagLite
::
RuntimeError
(
"getBra()
\n
"
);
}
...
...
@@ -152,7 +182,7 @@ public:
private
:
SizeType
ne_
;
BasisType
basis
_
;
VectorPairWordType
data
_
;
};
// class BasisRashbaSOC
...
...
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