Array¶
full name: tenpy.linalg.np_conserved.Array
parent module:
tenpy.linalg.np_conserved
type: class
Inheritance Diagram
Methods

see help(self) 

Add charges. 

Add a leg to self, setting the current array as slice for a given index. 

Add a trivial leg (with just one entry) to self. 
Gives a version of self which is completely blocked by charges. 


Return copy with new dtype, upcasting all blocks in 

Roughly 

Change the qmod of one charge in chinfo. 

Reshape: combine multiple legs into multiple pipes. 
Return copy which is complex conjugated without conjugating the charge data. 


Conjugate: complex conjugate data, conjugate charge data. 

Return a (deep or shallow) copy of self. 

Drop (one of) the charges. 

Increase the dimension of a given axis, filling the values with zeros. 

Create an Array from a numpy func. 

Create an Array from a (numpy) function. 

Load instance from a HDF5 file. 

convert a flat (numpy) ndarray to an Array. 

convert a flat numpy ndarray to an Array with trivial charge conservation. 

Changes the total charge by adjusting the charge on a certain leg. 

Return the ndarray in 

Return 

translate a legindex or leglabel to a legindex. 

Translate a list of legindices or leglabels to leg indices. 
Return list of the leg labels, with None for anonymous legs. 


Check whether a given label exists. 



Roughly 

Wraper around 

Remove leg labels from self; in place. 

Applying masks to one or multiple axes; in place. 

Removes 

Replace the leg label old_label with new_label; in place. 

Replace leg label 
Return bool whether all legs are blocked by charge. 


Scale with varying values along an axis; in place. 



Set labels for the different axes/legs; in place. 
(Lexiographically) sort 


Similar as 

Transpose axes like np.transpose; in place. 

Roughly 

Generates a 

This function is used by the Lanczos algorithm needed for DMRG. 

Norm of flattened data. 

Apply a permutation in the indices of an axis. 

Return a shallow copy with the leg label old_label replaced by new_label. 

Return a shallow copy with 

Export self into a HDF5 file. 

Same as 

Return a copy with one or all legs sorted by charges. 
Returns a string detailing the sparse statistics. 


Reshape: opposite of combine_legs: split (some) legs which are LegPipes. 

Like 

Return a copy of self fixing indices along one or multiple axes. 
Sanity check. 

Convert self to a dense numpy ndarray. 


Like 

Roughly 
Return a copy of self with only zeros as entries, containing no _data. 
Class Attributes and Properties


Alias for 

The number of dtypeobjects stored. 

The number of (nonzero) blocks stored in 

class
tenpy.linalg.np_conserved.
Array
(legcharges, dtype=<class 'numpy.float64'>, qtotal=None, labels=None)[source]¶ Bases:
object
A multidimensional array (=tensor) for using charge conservation.
An Array represents a multidimensional tensor, together with the charge structure of its legs (for abelian charges). Further information can be found in Charge conservation with np_conserved.
The default
__init__()
(i.e.Array(...)
) does not insert any data, and thus yields an Array ‘full’ of zeros, equivalent tozeros()
. Further, new arrays can be created with one offrom_ndarray_trivial()
,from_ndarray()
, orfrom_func()
, and of course by copying/tensordot/svd etc.Inplace methods are indicated by a name starting with
i
. (But is_completely_blocked is not inplace…) Parameters
legcharges (list of
LegCharge
) – The leg charges for each of the legs. TheChargeInfo
is read out from it.dtype (type or string) – The data type of the array entries. Defaults to np.float64.
qtotal (1D array of QTYPE) – The total charge of the array. Defaults to 0.
labels (list of {str  None}) – Labels associated to each leg,
None
for nonnamed labels.

dtype
¶ The data type of the entries.
 Type
np.dtype

chinfo
¶ The nature of the charge.
 Type

qtotal
¶ The total charge of the tensor.
 Type
1D array

_labels
¶ Labels for the different legs, None for nonlabeled legs.
 Type
list of { str  None }

_data
¶ The actual entries of the tensor.
 Type
list of arrays

_qdata
¶ For each of the _data entries the qindices of the different legs.
 Type
2D array (len(_data), rank), dtype np.intp

_qdata_sorted
¶ Whether self._qdata is lexsorted. Defaults to True, but must be set to False by algorithms changing _qdata.
 Type
Bool

copy
(deep=True)[source]¶ Return a (deep or shallow) copy of self.
Both deep and shallow copies will share
chinfo
and the LegCharges inlegs
.In contrast to a deep copy, the shallow copy will also share the tensor entries, namely the same instances of
_qdata
and_data
andlabels
(and other ‘immutable’ properties like the shape or dtype).Note
Shallow copies are not recommended unless you know the consequences! See the following examples illustrating some of the pitfalls.
Examples
Be very careful when making nondeep copies: In the following example, the original a is changed if and only if the corresponding block existed in a before.
>>> a = npc.Array.from_ndarray_trivial(np.arange(6.).reshape(2, 3)) >>> print(a.to_ndarray()) [[0. 1. 2.] [3. 4. 5.]] >>> b = a.copy(deep=False) # shallow copy >>> b[1, 2] = 8. >>> a[1, 2] # changed! 8.0
Other inplace operations might* have no effect at all (although we don’t guarantee that):
>>> a *= 2 # has no effect on `b` >>> b.iconj() # nor does this change `a`

save_hdf5
(hdf5_saver, h5gr, subpath)[source]¶ Export self into a HDF5 file.
This method saves all the data it needs to reconstruct self with
from_hdf5()
.Specifically, it saves
chinfo
,legs
,dtype
under these names,qtotal
as"total_charge"
,_data
as"blocks"
,_qdata
as:block_inds"
, thelabels
in the listform (as returned byget_leg_labels()
). Moreover, it savesrank
,shape
and_qdata_sorted
(under the name"block_inds_sorted"
) as HDF5 attributes.

classmethod
from_hdf5
(hdf5_loader, h5gr, subpath)[source]¶ Load instance from a HDF5 file.
This method reconstructs a class instance from the data saved with
save_hdf5()
. Parameters
hdf5_loader (
Hdf5Loader
) – Instance of the loading engine.h5gr (
Group
) – HDF5 group which is represent the object to be constructed.subpath (str) – The name of h5gr with a
'/'
in the end.
 Returns
obj – Newly generated class instance containing the required data.
 Return type
cls

classmethod
from_ndarray_trivial
(data_flat, dtype=None, labels=None)[source]¶ convert a flat numpy ndarray to an Array with trivial charge conservation.
 Parameters
data_flat (array_like) – The data to be converted to a Array.
dtype (
np.dtype
) – The data type of the array entries. Defaults to dtype of data_flat.labels (list of {str  None}) – Labels associated to each leg,
None
for nonnamed labels.
 Returns
res – An Array with data of data_flat.
 Return type

classmethod
from_ndarray
(data_flat, legcharges, dtype=None, qtotal=None, cutoff=None, labels=None, raise_wrong_sector=True)[source]¶ convert a flat (numpy) ndarray to an Array.
 Parameters
data_flat (array_like) – The flat ndarray which should be converted to a npc Array. The shape has to be compatible with legcharges.
legcharges (list of
LegCharge
) – The leg charges for each of the legs. TheChargeInfo
is read out from it.dtype (
np.dtype
) – The data type of the array entries. Defaults to dtype of data_flat.qtotal (None  charges) – The total charge of the new array.
cutoff (float) – Blocks with
np.max(np.abs(block)) > cutoff
are considered as zero. Defaults toQCUTOFF
.labels (list of {str  None}) – Labels associated to each leg,
None
for nonnamed labels.raise_wrong_sector (bool) – If True, raise a ValueError in case of nonzero entries (larger than cutoff) in the wrong blocks of data_flat. If False, just raise a warning.
 Returns
res – An Array with data of data_flat.
 Return type
See also
detect_qtotal()
used to detect
qtotal
if not given.

classmethod
from_func
(func, legcharges, dtype=None, qtotal=None, func_args=(), func_kwargs={}, shape_kw=None, labels=None)[source]¶ Create an Array from a numpy func.
This function creates an array and fills the blocks compatible with the charges using func, where func is a function returning a array_like when given a shape, e.g. one of
np.ones
ornp.random.standard_normal
. Parameters
func (callable) – A functionlike object which is called to generate the data blocks. We expect that func returns a flat array of the given shape convertible to dtype. If no shape_kw is given, it is called as
func(shape, *func_args, **func_kwargs)
, otherwise asfunc(*func_args, `shape_kw`=shape, **func_kwargs)
. shape is a tuple of int.legcharges (list of
LegCharge
) – The leg charges for each of the legs. TheChargeInfo
is read out from it.dtype (None  type  string) – The data type of the output entries. Defaults to np.float64. Defaults to None: obtain it from the return value of the function. Note that this argument is not given to func, but rather a type conversion is performed afterwards. You might want to set a dtype in func_kwargs as well.
qtotal (None  charges) – The total charge of the new array. Defaults to charge 0.
func_args (iterable) – Additional arguments given to func.
func_kwargs (dict) – Additional keyword arguments given to func.
shape_kw (None  str) – If given, the keyword with which shape is given to func.
labels (list of {str  None}) – Labels associated to each leg,
None
for nonnamed labels.
 Returns
res – An Array with blocks filled using func.
 Return type

classmethod
from_func_square
(func, leg, dtype=None, func_args=(), func_kwargs={}, shape_kw=None, labels=None)[source]¶ Create an Array from a (numpy) function.
This function creates an array and fills the blocks compatible with the charges using func, where func is a function returning a array_like when given a shape, e.g. one of
np.ones
ornp.random.standard_normal
or the functions defined inrandom_matrix
. Parameters
func (callable) – A functionlike object which is called to generate the data blocks. We expect that func returns a flat array of the given shape convertible to dtype. If no shape_kw is given, it is called like
func(shape, *fargs, **fkwargs)
, otherwise asfunc(*fargs, `shape_kw`=shape, **fkwargs)
. shape is a tuple of int.leg (
LegCharge
) – The leg charges for the first leg; the second leg is set toleg.conj()
. TheChargeInfo
is read out from it.dtype (None  type  string) – The data type of the output entries. Defaults to None: obtain it from the return value of the function. Note that this argument is not given to func, but rather a type conversion is performed afterwards. You might want to set a dtype in func_kwargs as well.
func_args (iterable) – Additional arguments given to func.
func_kwargs (dict) – Additional keyword arguments given to func.
shape_kw (None  str) – If given, the keyword with which shape is given to func.
labels (list of {str  None}) – Labels associated to each leg,
None
for nonnamed labels.
 Returns
res – An Array with blocks filled using func.
 Return type

property
size
¶ The number of dtypeobjects stored.

get_leg_index
(label)[source]¶ translate a legindex or leglabel to a legindex.
 Parameters
label (int  string) – The legindex directly or a label (string) set before.
 Returns
leg_index – The index of the label.
 Return type
See also
get_leg_indices()
calls get_leg_index for a list of labels.
iset_leg_labels()
set the labels of different legs.

get_leg_indices
(labels)[source]¶ Translate a list of legindices or leglabels to leg indices.
 Parameters
labels (iterable of string/int) – The leglabels (or directly indices) to be translated in legindices.
 Returns
leg_indices – The translated labels.
 Return type
list of int
See also
get_leg_index()
used to translate each of the single entries.
iset_leg_labels()
set the labels of different legs.

iset_leg_labels
(labels)[source]¶ Set labels for the different axes/legs; in place.
Introduction to leg labeling can be found in Charge conservation with np_conserved.
 Parameters
labels (iterable (strings  None), len=self.rank) – One label for each of the legs. An entry can be None for an anonymous leg.
See also
get_leg()
translate the labels to indices.

get_leg
(label)[source]¶ Return
self.legs[self.get_leg_index(label)]
.Convenient function returning the leg corresponding to a leg label/index.

ireplace_label
(old_label, new_label)[source]¶ Replace the leg label old_label with new_label; in place.

replace_label
(old_label, new_label)[source]¶ Return a shallow copy with the leg label old_label replaced by new_label.

ireplace_labels
(old_labels, new_labels)[source]¶ Replace leg label
old_labels[i]
withnew_labels[i]
; in place.

replace_labels
(old_labels, new_labels)[source]¶ Return a shallow copy with
old_labels[i]
replaced bynew_labels[i]
.

idrop_labels
(old_labels=None)[source]¶ Remove leg labels from self; in place.
 Parameters
old_labels (list of strint) – The leg labels/indices for which the label should be removed. By default (None), remove all labels.

get_block
(qindices, insert=False)[source]¶ Return the ndarray in
_data
representing the block corresponding to qindices. Parameters
qindices (1D array of np.intp) – The qindices, for which we need to look in _qdata.
insert (bool) – If True, insert a new (zero) block, if qindices is not existent in
self._data
. Otherwise just returnNone
.
 Returns
block – The block in
_data
corresponding to qindices. If insert`=False and there is not block with qindices, return ``None`. Return type
ndarray 
None
 Raises
IndexError – If qindices are incompatible with charge and raise_incomp_q.

take_slice
(indices, axes)[source]¶ Return a copy of self fixing indices along one or multiple axes.
For a rank4 Array
A.take_slice([i, j], [1,2])
is equivalent toA[:, i, j, :]
. Parameters
indices ((iterable of) int) – The (flat) index for each of the legs specified by axes.
axes ((iterable of) str/int) – Leg labels or indices to specify the legs for which the indices are given.
 Returns
sliced_self – A copy of self, equivalent to taking slices with indices inserted in axes.
 Return type
See also
add_leg()
opposite action of inserting a new leg.

add_trivial_leg
(axis=0, label=None, qconj=1)[source]¶ Add a trivial leg (with just one entry) to self.
 Parameters
axis (int) – The new leg is inserted before index axis.
label (str 
None
) – If notNone
, use it as label for the new leg.qconj (+1  1) – The direction of the new leg.
 Returns
extended – A (possibly) shallow copy of self with an additional leg of ind_len 1 and charge 0.
 Return type

add_leg
(leg, i, axis=0, label=None)[source]¶ Add a leg to self, setting the current array as slice for a given index.
 Parameters
leg (
LegCharge
) – The charge data of the leg to be added.i (int) – Index within the leg for which the data of self should be set.
axis (axis) – The new leg is inserted before this current axis.
label (str 
None
) – If notNone
, use it as label for the new leg.
 Returns
extended – A copy of self with the new leg at axis axis , such that
extended.take_slice(i, axis)
returns a copy of self. Return type
See also
take_slice()
opposite action reducing the number of legs.

extend
(axis, extra)[source]¶ Increase the dimension of a given axis, filling the values with zeros.
 Parameters
axis (int  str) – The axis (or axislabel) to be extended.
extra (
LegCharge
 int) – By what to extend, i.e. the charges to be appended to the leg of axis. An int stands for extending the length of the array by a single new block of that size with zero charges.
 Returns
extended – A copy of self with the specified axis increased.
 Return type

gauge_total_charge
(axis, newqtotal=None, new_qconj=None)[source]¶ Changes the total charge by adjusting the charge on a certain leg.
The total charge is given by finding a nonzero entry [i1, i2, …] and calculating:
qtotal = self.chinfo.make_valid( np.sum([l.get_charge(l.get_qindex(qi)[0]) for i, l in zip([i1,i2,...], self.legs)], axis=0))
Thus, the total charge can be changed by redefining (= shifting) the LegCharge of a single given leg. This is exaclty what this function does.
 Parameters
axis (int or string) – The new leg (index or label), for which the charge is changed.
newqtotal (charge values, defaults to 0) – The new total charge.
new_qconj ({+1, 1, None}) – Whether the new LegCharge points inward (+1) or outward (1) afterwards. By default (None) use the previous
self.legs[leg].qconj
.
 Returns
copy – A shallow copy of self with
copy.qtotal == newqtotal
and newcopy.legs[leg]
. The new leg will be a :class`LegCharge`, even if the old leg was aLegPipe
. Return type

add_charge
(add_legs, chinfo=None, qtotal=None)[source]¶ Add charges.
 Parameters
add_legs (iterable of
LegCharge
) – One LegCharge for each axis of self, to be added to the one inlegs
.chargeinfo (
ChargeInfo
) – The ChargeInfo for all charges; create new ifNone
.qtotal (None  charges) – The total charge with respect to add_legs. If
None
, derive it from nonzero entries ofself
.
 Returns
charges_added – A copy of self, where the LegCharges add_legs where added to self.legs. Note that the LegCharges are neither bunched or sorted; you might want to use
sort_legcharge()
. Return type

drop_charge
(charge=None, chinfo=None)[source]¶ Drop (one of) the charges.
 Parameters
charge (int  str) – Number or name of the charge (within chinfo) which is to be dropped.
None
means dropping all charges.chinfo (
ChargeInfo
) – TheChargeInfo
with charge dropped; create a new one ifNone
.
 Returns
dropped – A copy of self, where the specified charge has been removed. Note that the LegCharges are neither bunched or sorted; you might want to use
sort_legcharge()
. Return type

change_charge
(charge, new_qmod, new_name='', chinfo=None)[source]¶ Change the qmod of one charge in chinfo.
 Parameters
charge (int  str) – Number or name of the charge (within chinfo) which is to be changed.
None
means dropping all charges.new_qmod (int) – The new qmod to be set.
new_name (str) – The new name of the charge.
chinfo (
ChargeInfo
) – TheChargeInfo
with qmod of charge changed; create a new one ifNone
.
 Returns
changed – A copy of self, where the qmod of the specified charge has been changed. Note that the LegCharges are neither bunched or sorted; you might want to use
sort_legcharge()
. Return type

sort_legcharge
(sort=True, bunch=True)[source]¶ Return a copy with one or all legs sorted by charges.
Sort/bunch one or multiple of the LegCharges. Legs which are sorted and bunched are guaranteed to be blocked by charge.
 Parameters
sort (True  False  list of {True, False, perm}) – A single bool holds for all legs, default=True. Else, sort should contain one entry for each leg, with a bool for sort/don’t sort, or a 1D array perm for a given permuation to apply to a leg.
bunch (True  False  list of {True, False}) – A single bool holds for all legs, default=True. Whether or not to bunch at each leg, i.e. combine contiguous blocks with equal charges.
 Returns
perm (tuple of 1D arrays) – The permutation applied to each of the legs, such that
cp.to_ndarray() = self.to_ndarray()[np.ix_(*perm)]
.result (Array) – A shallow copy of self, with legs sorted/bunched.

isort_qdata
()[source]¶ (Lexiographically) sort
self._qdata
; in place.Lexsort
self._qdata
andself._data
and setself._qdata_sorted = True
.

combine_legs
(combine_legs, new_axes=None, pipes=None, qconj=None)[source]¶ Reshape: combine multiple legs into multiple pipes. If necessary, transpose before.
 Parameters
combine_legs ((iterable of) iterable of {strint}) – Bundles of leg indices or labels, which should be combined into a new output pipes. If multiple pipes should be created, use a list fore each new pipe.
new_axes (None  (iterable of) int) – The legindices, at which the combined legs should appear in the resulting array. Default: for each pipe the position of its first pipe in the original array, (taking into account that some axes are ‘removed’ by combining). Thus no transposition is perfomed if combine_legs contains only contiguous ranges.
pipes (None  (iterable of) {
LegPipes
 None}) – Optional: provide one or multiple of the resulting LegPipes to avoid overhead of computing new leg pipes for the same legs multiple times. The LegPipes are conjugated, if that is necessary for compatibility with the legs.qconj ((iterable of) {+1, 1}) – Specify whether new created pipes point inward or outward. Defaults to +1. Ignored for given pipes, which are not newly calculated.
 Returns
reshaped – A copy of self, whith some legs combined into pipes as specified by the arguments.
 Return type
See also
split_legs()
inverse reshaping splitting LegPipes.
Notes
Labels are inherited from self. New pipe labels are generated as
'(' + '.'.join(*leglabels) + ')'
. For these new labels, previously unlabeled legs are replaced by'?#'
, where#
is the legindex in the original tensor self.Examples
>>> orig_array = npc.Array.from_ndarray_trivial(np.arange(60).reshape([2, 3, 2, 1, 5]), ... labels=['a', 'b', 'c', 'd', 'e']) >>> c1 = orig_array.combine_legs([1, 2], qconj=1) # only single output pipe >>> c1.get_leg_labels() ['a', '(b.c)', 'd', 'e'] >>> c1.shape (2, 6, 1, 5)
Indices of combine_legs refer to the original array. If transposing is necessary, it is performed automatically:
>>> c2 = orig_array.combine_legs([[0, 3], [4, 1]], qconj=[+1, 1]) # two output pipes >>> c2.get_leg_labels() ['(a.d)', 'c', '(e.b)'] >>> c2.shape (2, 2, 15) >>> c3 = orig_array.combine_legs([['a', 'd'], ['e', 'b']], new_axes=[2, 1], ... pipes=[c2.legs[0], c2.legs[2]]) >>> c3.get_leg_labels() ['c', '(e.b)', '(a.d)']

split_legs
(axes=None, cutoff=0.0)[source]¶ Reshape: opposite of combine_legs: split (some) legs which are LegPipes.
Reverts
combine_legs()
(except a possibly performed transpose). The splited legs are replacing the LegPipes at their position, see the examples below. Labels are split reverting what was done incombine_legs()
. ‘?#’ labels are replaced withNone
. Parameters
axes ((iterable of) intstr) – Leg labels or indices determining the axes to split. The corresponding entries in self.legs must be
LegPipe
instances. Defaults to all legs, which areLegPipe
instances.cutoff (float) – Splitted data blocks with
np.max(np.abs(block)) > cutoff
are considered as zero. Defaults to 0.
 Returns
reshaped – A copy of self where the specified legs are splitted.
 Return type
See also
combine_legs()
this is reversed by split_legs.
Examples
Given a rank5 Array orig_array, you can combine it and split it again:
>>> orig_array = npc.Array.from_ndarray_trivial(np.arange(60).reshape([2, 3, 2, 1, 5]), ... labels=['a', 'b', 'c', 'd', 'e']) >>> orig_array.shape (2, 3, 2, 1, 5) >>> comb_array = orig_array.combine_legs([['a', 'd'], ['c', 'e']] ) >>> comb_array.get_leg_labels() ['(a.d)', 'b', '(c.e)'] >>> comb_array.shape (2, 3, 10) >>> split_array = comb_array.split_legs() >>> split_array.get_leg_labels() ['a', 'd', 'b', 'c', 'e'] >>> npc.norm(split_array.transpose(orig_array.get_leg_labels())  orig_array) 0.0

as_completely_blocked
()[source]¶ Gives a version of self which is completely blocked by charges.
Functions like
svd()
oreigh()
require a complete blocking by charges. This can be achieved by encapsulating each leg which is not completely blocked into aLegPipe
(containing only that single leg). The LegPipe will then contain all necessary information to revert the blocking. Returns
encapsulated_axes (list of int) – The leg indices which have been encapsulated into Pipes.
blocked_self (
Array
) – Self (iflen(encapsulated_axes) = 0
) or a copy of self, which is completely blocked.

squeeze
(axes=None)[source]¶ Like
np.squeeze
.If a squeezed leg has nonzero charge, this charge is added to
qtotal
. Parameters
axes (None  (iterable of) {intstr}) – Labels or indices of the legs which should be ‘squeezed’, i.e. the legs removed. The corresponding legs must be trivial, i.e., have ind_len 1.
 Returns
squeezed – A scalar of
self.dtype
, if all axes were squeezed. Else a copy ofself
with reducedrank
as specified by axes. Return type
:class:Array  scalar

ipurge_zeros
(cutoff=2.220446049250313e15, norm_order=None)[source]¶ Removes
self._data
blocks with norm less than cutoff; in place. Parameters
cutoff (float) – Blocks with norm <= cutoff are removed. defaults to
QCUTOFF
.norm_order – A valid ord argument for np.linalg.norm. Default
None
gives the Frobenius norm/2norm for matrices/everything else. Note that this differs from other methods, e.g.from_ndarray()
, which use the maximum norm.

iproject
(mask, axes)[source]¶ Applying masks to one or multiple axes; in place.
This function is similar as np.compress with boolean arrays For each specified axis, a boolean 1D array mask can be given, which chooses the indices to keep.
Warning
Although it is possible to use an 1D int array as a mask, the order is ignored! If you need to permute an axis, use
permute()
orsort_legcharge()
. Parameters
mask ((list of) 1D array(boolint)) – For each axis specified by axes a mask, which indices of the axes should be kept. If mask is a bool array, keep the indices where mask is True. If mask is an int array, keep the indices listed in the mask, ignoring the order or multiplicity.
axes ((list of) int  string) – The i`th entry in this list specifies the axis for the `i`th entry of `mask, either as an int, or with a leg label. If axes is just a single int/string, specify just a single mask.
 Returns
map_qind (list of 1D arrays) – The mapping of qindices for each of the specified axes.
block_masks (list of lists of 1D bool arrays) –
block_masks[a][qind]
is a boolen mask which indices to keep in blockqindex
ofaxes[a]
.

permute
(perm, axis)[source]¶ Apply a permutation in the indices of an axis.
Similar as np.take with a 1D array. Roughly equivalent to
res[:, ...] = self[perm, ...]
for the corresponding axis. Note: This function is quite slow, and usually not needed! Parameters
perm (array_like 1D int) – The permutation which should be applied to the leg given by axis.
axis (str  int) – A leg label or index specifying on which leg to take the permutation.
 Returns
res – A copy of self with leg axis permuted, such that
res[i, ...] = self[perm[i], ...]
fori
along axis. Return type
See also
sort_legcharge()
can also be used to perform a general permutation. Preferable, since it is faster for permutations which don’t mix charge blocks.

itranspose
(axes=None)[source]¶ Transpose axes like np.transpose; in place.
 Parameters
axes (iterable (intstring), len
rank
 None) – The new order of the axes. By default (None), reverse axes.

transpose
(axes=None)[source]¶ Like
itranspose()
, but on a deep copy.

iscale_axis
(s, axis= 1)[source]¶ Scale with varying values along an axis; in place.
Rescale to
new_self[i1, ..., i_axis, ...] = s[i_axis] * self[i1, ..., i_axis, ...]
. Parameters
s (1D array, len=self.shape[axis]) – The vector with which the axis should be scaled.
axis (strint) – The leg label or index for the axis which should be scaled.
See also
iproject()
can be used to discard indices for which s is zero.

scale_axis
(s, axis= 1)[source]¶ Same as
iscale_axis()
, but return a (deep) copy.

iunary_blockwise
(func, *args, **kwargs)[source]¶ Roughly
self = f(self)
, blockwise; in place.Applies an unary function func to the nonzero blocks in
self._data
.Note
Assumes implicitly that
func(np.zeros(...), *args, **kwargs)
gives 0, since we don’t let func act on zero blocks! Parameters
func (function) – A function acting on flat arrays, returning flat arrays. It is called like
new_block = func(block, *args, **kwargs)
.*args – Additional arguments given to function after the block.
**kwargs – Keyword arguments given to the function.
Examples
>>> a = npc.Array.from_ndarray_trivial([1., 2.j]) >>> a.iunary_blockwise(np.conj).to_ndarray() # same data as a.iconj(), but doesn't charge conjugate. array([1.0.j, 0.2.j]) >>> a.iunary_blockwise(np.real).to_ndarray() # get real part array([1., 0.])

unary_blockwise
(func, *args, **kwargs)[source]¶ Roughly
return func(self)
, blockwise. Copies.Same as
iunary_blockwise()
, but makes a shallow copy first.

conj
(complex_conj=True, inplace=False)[source]¶ Conjugate: complex conjugate data, conjugate charge data.
Conjugate all legs, set negative qtotal.
Labeling: takes ‘a’ > ‘a*’, ‘a*’> ‘a’ and ‘(a,(b*,c))’ > ‘(a*, (b, c*))’

complex_conj
()[source]¶ Return copy which is complex conjugated without conjugating the charge data.

ibinary_blockwise
(func, other, *args, **kwargs)[source]¶ Roughly
self = func(self, other)
, blockwise; in place.Applies a binary function ‘blockwise’ to the nonzero blocks of
self._data
andother._data
, storing result in place. Assumes that other is anArray
as well, with the same shape and compatible legs. If leg labels of other and self are same up to permutations, other gets transposed accordingly before the action.Note
Assumes implicitly that
func(np.zeros(...), np.zeros(...), *args, **kwargs)
gives 0, since we don’t let func act on zero blocks! Parameters
func (function) – Binary function, called as
new_block = func(block_self, block_other, *args, **kwargs)
for blocks (=Numpy arrays) of equal shape.other (
Array
) – Other Array from which to take blocks. Should have the same leg structure as self.*args – Extra arguments given to func.
**kwargs – Extra keyword arguments given to func.
Examples
>>> a = npc.Array.from_ndarray_trivial([1., 3.]) >>> b = npc.Array.from_ndarray_trivial([4., 2.]) >>> a.ibinary_blockwise(np.maximum, b).to_ndarray() # a = max(a, b) array([4., 3.]) >>> a.ibinary_blockwise(np.add, b).to_ndarray() # roughly ``a += b`` array([8., 5.])

binary_blockwise
(func, other, *args, **kwargs)[source]¶ Roughly
return func(self, other)
, blockwise. Copies.Same as
ibinary_blockwise()
, but makes a shallow copy first.

matvec
(other)[source]¶ This function is used by the Lanczos algorithm needed for DMRG.
It is supposed to calculate the matrix  vector  product for a rank2 matrix
self
and a rank1 vector other.