diff --git a/kwant/linalg/decomp_schur.py b/kwant/linalg/decomp_schur.py
index 0acb4332c6f10b0f19e2b5bdcc62859eb44061c3..a59eac458cda3a9a41d6bf2d7145ed9fdb2fbf48 100644
--- a/kwant/linalg/decomp_schur.py
+++ b/kwant/linalg/decomp_schur.py
@@ -257,12 +257,6 @@ def evecs_from_schur(t, q, select=None, left=False, right=True,
ltype, t, q = lapack.prepare_for_lapack(overwrite_tq, t, q)
- if (t.shape[0] != t.shape[1] or q.shape[0] != q.shape[1]
- or t.shape[0] != q.shape[0]):
- raise ValueError("Invalid Schur decomposition as input")
-
- trevc = getattr(lapack, ltype + "trevc")
-
# check if select is a function or an array
if select is not None:
isfun = isarray = True
@@ -288,7 +282,7 @@ def evecs_from_schur(t, q, select=None, left=False, right=True,
else:
selectarr = None
- return trevc(t, q, selectarr, left, right)
+ return lapack.trevc(t, q, selectarr, left, right)
def gen_schur(a, b, calc_q=True, calc_z=True, calc_ev=True,
diff --git a/kwant/linalg/lapack.pyx b/kwant/linalg/lapack.pyx
index 87d33dbba476e2b11a1f52c33536b400c1cbe8d0..a1745f27b67f14f31ae4a942a915eec2392b93be 100644
--- a/kwant/linalg/lapack.pyx
+++ b/kwant/linalg/lapack.pyx
@@ -14,7 +14,7 @@ __all__ = ['getrf',
'ggev',
'gees',
'trsen',
- 'strevc', 'dtrevc', 'ctrevc', 'ztrevc',
+ 'trevc',
'sgges', 'dgges', 'cgges', 'zgges',
'stgsen', 'dtgsen', 'ctgsen', 'ztgsen',
'stgevc', 'dtgevc', 'ctgevc', 'ztgevc',
@@ -651,129 +651,37 @@ def txevc_postprocess(dtype, T, vreal, np.ndarray[l_logical] select):
return v
-# Wrappers for xTREVC
-def strevc(np.ndarray[np.float32_t, ndim=2] T,
- np.ndarray[np.float32_t, ndim=2] Q=None,
- np.ndarray[l_logical] select=None,
- left=False, right=True):
+def trevc(np.ndarray[scalar, ndim=2] T,
+ np.ndarray[scalar, ndim=2] Q,
+ np.ndarray[l_logical] select,
+ left=False, right=True):
cdef l_int N, info, M, MM
cdef char *side
cdef char *howmny
- cdef np.ndarray[np.float32_t, ndim=2] vl_r, vr_r
- cdef float *vl_r_ptr
- cdef float *vr_r_ptr
- cdef np.ndarray[l_logical] select_cpy
- cdef l_logical *select_ptr
- cdef np.ndarray[np.float32_t] work
-
- assert_fortran_mat(T, Q)
-
- N = T.shape[0]
- work = np.empty(4*N, dtype = np.float32)
-
- if left and right:
- side = "B"
- elif left:
- side = "L"
- elif right:
- side = "R"
- else:
- return
-
- if select is not None:
- howmny = "S"
- MM = select.nonzero()[0].size
- # Correct for possible additional storage if a single complex
- # eigenvalue is selected.
- # For that: Figure out the positions of the 2x2 blocks.
- cmplxindx = np.diagonal(T, -1).nonzero()[0]
- for i in cmplxindx:
- if bool(select[i]) != bool(select[i+1]):
- MM += 1
-
- # Select is overwritten in strevc.
- select_cpy = np.array(select, dtype = logical_dtype,
- order = 'F')
- select_ptr = <l_logical *>select_cpy.data
- else:
- MM = N
- select_ptr = NULL
- if Q is not None:
- howmny = "B"
- else:
- howmny = "A"
- if left:
- if Q is not None and select is None:
- vl_r = np.asfortranarray(Q.copy())
- else:
- vl_r = np.empty((N, MM), dtype = np.float32, order='F')
- vl_r_ptr = <float *>vl_r.data
- else:
- vl_r_ptr = NULL
-
- if right:
- if Q is not None and select is None:
- vr_r = np.asfortranarray(Q.copy())
- else:
- vr_r = np.empty((N, MM), dtype = np.float32, order='F')
- vr_r_ptr = <float *>vr_r.data
- else:
- vr_r_ptr = NULL
+ # Parameter checks
- lapack.strevc(side, howmny, select_ptr,
- &N, <float *>T.data, &N,
- vl_r_ptr, &N, vr_r_ptr, &N, &MM, &M,
- <float *>work.data, &info)
+ if (T.shape[0] != T.shape[1] or Q.shape[0] != Q.shape[1]
+ or T.shape[0] != Q.shape[0]):
+ raise ValueError("Invalid Schur decomposition as input")
- assert info == 0, "Argument error in strevc"
- assert MM == M, "Unexpected number of eigenvectors returned in strevc"
+ assert_fortran_mat(T, Q)
- if select is not None and Q is not None:
- if left:
- vl_r = np.asfortranarray(np.dot(Q, vl_r))
- if right:
- vr_r = np.asfortranarray(np.dot(Q, vr_r))
+ # Workspace allocation
- # If there are complex eigenvalues, we need to postprocess the
- # eigenvectors.
- if np.diagonal(T, -1).nonzero()[0].size:
- if left:
- vl = txevc_postprocess(np.complex64, T, vl_r, select)
- if right:
- vr = txevc_postprocess(np.complex64, T, vr_r, select)
- else:
- if left:
- vl = vl_r
- if right:
- vr = vr_r
+ N = T.shape[0]
- if left and right:
- return (vl, vr)
- elif left:
- return vl
+ cdef np.ndarray[scalar] work
+ if scalar in floating:
+ work = np.empty(4 * N, dtype=T.dtype)
else:
- return vr
-
-
-def dtrevc(np.ndarray[np.float64_t, ndim=2] T,
- np.ndarray[np.float64_t, ndim=2] Q=None,
- np.ndarray[l_logical] select=None,
- left=False, right=True):
- cdef l_int N, info, M, MM
- cdef char *side
- cdef char *howmny
- cdef np.ndarray[np.float64_t, ndim=2] vl_r, vr_r
- cdef double *vl_r_ptr
- cdef double *vr_r_ptr
- cdef np.ndarray[l_logical] select_cpy
- cdef l_logical *select_ptr
- cdef np.ndarray[np.float64_t] work
-
- assert_fortran_mat(T, Q)
+ work = np.empty(2 * N, dtype=T.dtype)
- N = T.shape[0]
- work = np.empty(4*N, dtype = np.float64)
+ cdef np.ndarray rwork = None
+ if scalar is float_complex:
+ rwork = np.empty(N, dtype=np.float32)
+ elif scalar is double_complex:
+ rwork = np.empty(N, dtype=np.float64)
if left and right:
side = "B"
@@ -784,6 +692,8 @@ def dtrevc(np.ndarray[np.float64_t, ndim=2] T,
else:
return
+ cdef np.ndarray[l_logical] select_cpy
+ cdef l_logical *select_ptr
if select is not None:
howmny = "S"
MM = select.nonzero()[0].size
@@ -795,7 +705,7 @@ def dtrevc(np.ndarray[np.float64_t, ndim=2] T,
if bool(select[i]) != bool(select[i+1]):
MM += 1
- # Select is overwritten in dtrevc.
+ # Select is overwritten in strevc.
select_cpy = np.array(select, dtype = logical_dtype,
order = 'F')
select_ptr = <l_logical *>select_cpy.data
@@ -807,31 +717,53 @@ def dtrevc(np.ndarray[np.float64_t, ndim=2] T,
else:
howmny = "A"
+ cdef np.ndarray[scalar, ndim=2] vl_r = None
+ cdef scalar *vl_r_ptr
if left:
if Q is not None and select is None:
vl_r = np.asfortranarray(Q.copy())
else:
- vl_r = np.empty((N, MM), dtype = np.float64, order='F')
- vl_r_ptr = <double *>vl_r.data
+ vl_r = np.empty((N, MM), dtype=T.dtype, order='F')
+ vl_r_ptr = <scalar *>vl_r.data
else:
vl_r_ptr = NULL
+ cdef np.ndarray[scalar, ndim=2] vr_r = None
+ cdef scalar *vr_r_ptr
if right:
if Q is not None and select is None:
vr_r = np.asfortranarray(Q.copy())
else:
- vr_r = np.empty((N, MM), dtype = np.float64, order='F')
- vr_r_ptr = <double *>vr_r.data
+ vr_r = np.empty((N, MM), dtype=T.dtype, order='F')
+ vr_r_ptr = <scalar *>vr_r.data
else:
vr_r_ptr = NULL
- lapack.dtrevc(side, howmny, select_ptr,
- &N, <double *>T.data, &N,
- vl_r_ptr, &N, vr_r_ptr, &N, &MM, &M,
- <double *>work.data, &info)
+ # The actual calculation
- assert info == 0, "Argument error in dtrevc"
- assert MM == M, "Unexpected number of eigenvectors returned in dtrevc"
+ if scalar is float:
+ lapack.strevc(side, howmny, select_ptr,
+ &N, <float *>T.data, &N,
+ vl_r_ptr, &N, vr_r_ptr, &N, &MM, &M,
+ <float *>work.data, &info)
+ elif scalar is double:
+ lapack.dtrevc(side, howmny, select_ptr,
+ &N, <double *>T.data, &N,
+ vl_r_ptr, &N, vr_r_ptr, &N, &MM, &M,
+ <double *>work.data, &info)
+ elif scalar is float_complex:
+ lapack.ctrevc(side, howmny, select_ptr,
+ &N, <float complex *>T.data, &N,
+ vl_r_ptr, &N, vr_r_ptr, &N, &MM, &M,
+ <float complex *>work.data, <float *>rwork.data, &info)
+ elif scalar is double_complex:
+ lapack.ztrevc(side, howmny, select_ptr,
+ &N, <double complex *>T.data, &N,
+ vl_r_ptr, &N, vr_r_ptr, &N, &MM, &M,
+ <double complex *>work.data, <double *>rwork.data, &info)
+
+ assert info == 0, "Argument error in trevc"
+ assert MM == M, "Unexpected number of eigenvectors returned in strevc"
if select is not None and Q is not None:
if left:
@@ -839,179 +771,23 @@ def dtrevc(np.ndarray[np.float64_t, ndim=2] T,
if right:
vr_r = np.asfortranarray(np.dot(Q, vr_r))
- # If there are complex eigenvalues, we need to postprocess the eigenvectors
- if np.diagonal(T, -1).nonzero()[0].size:
- if left:
- vl = txevc_postprocess(np.complex128, T, vl_r, select)
- if right:
- vr = txevc_postprocess(np.complex128, T, vr_r, select)
- else:
- if left:
- vl = vl_r
- if right:
- vr = vr_r
-
- if left and right:
- return (vl, vr)
- elif left:
- return vl
- else:
- return vr
-
-
-def ctrevc(np.ndarray[np.complex64_t, ndim=2] T,
- np.ndarray[np.complex64_t, ndim=2] Q=None,
- np.ndarray[l_logical] select=None,
- left=False, right=True):
- cdef l_int N, info, M, MM
- cdef char *side
- cdef char *howmny
- cdef np.ndarray[np.complex64_t, ndim=2] vl, vr
- cdef float complex *vl_ptr
- cdef float complex *vr_ptr
- cdef l_logical *select_ptr
- cdef np.ndarray[np.complex64_t] work
- cdef np.ndarray[np.float32_t] rwork
-
- assert_fortran_mat(T, Q)
-
- N = T.shape[0]
- work = np.empty(2*N, dtype = np.complex64)
- rwork = np.empty(N, dtype = np.float32)
-
- if left and right:
- side = "B"
- elif left:
- side = "L"
- elif right:
- side = "R"
- else:
- return
-
- if select is not None:
- howmny = "S"
- MM = select.nonzero()[0].size
- select_ptr = <l_logical *>select.data
- else:
- MM = N
- select_ptr = NULL
- if Q is not None:
- howmny = "B"
- else:
- howmny = "A"
-
- if left:
- if Q is not None and select is None:
- vl = np.asfortranarray(Q.copy())
- else:
- vl = np.empty((N, MM), dtype = np.complex64, order='F')
- vl_ptr = <float complex *>vl.data
- else:
- vl_ptr = NULL
-
- if right:
- if Q is not None and select is None:
- vr = np.asfortranarray(Q.copy())
- else:
- vr = np.empty((N, MM), dtype = np.complex64, order='F')
- vr_ptr = <float complex *>vr.data
- else:
- vr_ptr = NULL
-
- lapack.ctrevc(side, howmny, select_ptr,
- &N, <float complex *>T.data, &N,
- vl_ptr, &N, vr_ptr, &N, &MM, &M,
- <float complex *>work.data, <float *>rwork.data, &info)
-
- assert info == 0, "Argument error in ctrevc"
- assert MM == M, "Unexpected number of eigenvectors returned in ctrevc"
-
- if select is not None and Q is not None:
- if left:
- vl = np.asfortranarray(np.dot(Q, vl))
- if right:
- vr = np.asfortranarray(np.dot(Q, vr))
-
- if left and right:
- return (vl, vr)
- elif left:
- return vl
- else:
- return vr
-
-
-def ztrevc(np.ndarray[np.complex128_t, ndim=2] T,
- np.ndarray[np.complex128_t, ndim=2] Q=None,
- np.ndarray[l_logical] select=None,
- left=False, right=True):
- cdef l_int N, info, M, MM
- cdef char *side
- cdef char *howmny
- cdef np.ndarray[np.complex128_t, ndim=2] vl, vr
- cdef double complex *vl_ptr
- cdef double complex *vr_ptr
- cdef l_logical *select_ptr
- cdef np.ndarray[np.complex128_t] work
- cdef np.ndarray[np.float64_t] rwork
-
- assert_fortran_mat(T, Q)
-
- N = T.shape[0]
- work = np.empty(2*N, dtype = np.complex128)
- rwork = np.empty(N, dtype = np.float64)
-
- if left and right:
- side = "B"
- elif left:
- side = "L"
- elif right:
- side = "R"
- else:
- return
-
- if select is not None:
- howmny = "S"
- MM = select.nonzero()[0].size
- select_ptr = <l_logical *>select.data
- else:
- MM = N
- select_ptr = NULL
- if Q is not None:
- howmny = "B"
- else:
- howmny = "A"
-
+ cdef np.ndarray vl, vr
if left:
- if Q is not None and select is None:
- vl = np.asfortranarray(Q.copy())
- else:
- vl = np.empty((N, MM), dtype = np.complex128, order='F')
- vl_ptr = <double complex *>vl.data
- else:
- vl_ptr = NULL
-
+ vl = vl_r
if right:
- if Q is not None and select is None:
- vr = np.asfortranarray(Q.copy())
+ vr = vr_r
+ if scalar in floating:
+ # If there are complex eigenvalues, we need to postprocess the
+ # eigenvectors.
+ if scalar is float:
+ dtype = np.complex64
else:
- vr = np.empty((N, MM), dtype = np.complex128, order='F')
- vr_ptr = <double complex *>vr.data
- else:
- vr_ptr = NULL
-
- lapack.ztrevc(side, howmny, select_ptr,
- &N, <double complex *>T.data, &N,
- vl_ptr, &N, vr_ptr, &N, &MM, &M,
- <double complex *>work.data, <double *>rwork.data, &info)
-
- assert info == 0, "Argument error in ztrevc"
- assert MM == M, "Unexpected number of eigenvectors returned in ztrevc"
-
- if select is not None and Q is not None:
- if left:
- vl = np.asfortranarray(np.dot(Q, vl))
- if right:
- vr = np.asfortranarray(np.dot(Q, vr))
+ dtype = np.complex128
+ if np.diagonal(T, -1).nonzero()[0].size:
+ if left:
+ vl = txevc_postprocess(dtype, T, vl_r, select)
+ if right:
+ vr = txevc_postprocess(dtype, T, vr_r, select)
if left and right:
return (vl, vr)