Update tensor docs, set up doc stubs for other modules.

docs/src/lib/algorithms.rst

@@ -8,13 +8,43 @@ Algorithms
 
 This section contains the API documentation for the :mod:`.algorithms` module.
 
+Finite MPS algorithms
+---------------------
+
+.. autoclass:: src.algorithms.Dmrg
+    :no-members:
+    :members: fixedpoint
+
+
 Infinite MPS algorithms
 -----------------------
 
 .. autoclass:: src.algorithms.Vumps
+    :no-members:
+    :members: fixedpoint
+
+.. autoclass:: src.algorithms.IDmrg
+    :no-members:
+    :members: fixedpoint
+
+.. autoclass:: src.algorithms.IDmrg2
+    :no-members:
+    :members: fixedpoint
+
+.. autoclass:: src.algorithms.QPAnsatz
+    :no-members:
+    :members: excitations
+
+.. autoclass:: src.algorithms.Vomps
+    :no-members:
+    :members: approximate
+
+.. autoclass:: src.algorithms.Expand
+    :no-members:
+    :members: changebonds
+
 
 Eigsolvers
 ----------
 
 .. automodule:: src.algorithms.eigsolvers
-

docs/src/lib/caches.rst

@@ -10,8 +10,8 @@ This section contains the API documentation for the :mod:`.caches` module.
 
 .. automodule:: src.caches
 
+
 GetMD5
 ------
 
 .. automodule:: src.caches.GetMD5
-

docs/src/lib/environments.rst

@@ -8,5 +8,5 @@ Environments
 
 This section contains the API documentation for the :mod:`.environments` module.
 
-.. automodule:: src.environments
+.. autoclass:: src.environments.FiniteEnvironment
 

docs/src/lib/models.rst

@@ -8,5 +8,32 @@ Models
 
 This section contains the API documentation for the :mod:`.models` module.
 
-.. automodule:: src.models
+.. Operators
+.. ---------
+
+.. Spin operators
+.. ``````````````
+
+.. .. autofunction:: src.models.spinoperators.sigma_min
+.. .. autofunction:: src.models.spinoperators.sigma_plus
+.. .. autofunction:: src.models.spinoperators.sigma_z
+.. .. autofunction:: src.models.spinoperators.sigma_exhange
+
+
+.. Fermion operators
+.. `````````````````
+
+.. .. autofunction:: src.models.fermionoperators.c_min
+.. .. autofunction:: src.models.fermionoperators.c_plus
+.. .. autofunction:: src.models.fermionoperators.c_number
+
+
+.. Models
+.. ------
+
+.. autofunction:: src.models.quantum1dIsing
+.. autofunction:: src.models.quantum1dHeisenberg
+.. autofunction:: src.models.quantum1dHubbard
+
+.. autofunction:: src.models.statmech2dIsing
 

docs/src/lib/mps.rst

@@ -8,5 +8,23 @@ MPS
 
 This section contains the API documentation for the :mod:`.mps` module.
 
-.. automodule:: src.mps
+States
+------
 
+.. autoclass:: src.mps.MpsTensor
+.. autoclass:: src.mps.FiniteMps
+    :no-members:
+.. autoclass:: src.mps.UniformMps
+.. autoclass:: src.mps.InfQP
+
+
+Operators
+---------
+
+.. autoclass:: src.mps.MpoTensor
+.. autoclass:: src.mps.FiniteMpo
+.. autoclass:: src.mps.InfMpo
+.. autoclass:: src.mps.InfJMpo
+.. autoclass:: src.mps.PepsTensor
+.. autoclass:: src.mps.PepsSandwich
+    :no-members:

docs/src/lib/sparse.rst

@@ -8,4 +8,5 @@ Sparse
 
 This section contains the API documentation for the :mod:`.sparse` module.
 
-.. automodule:: src.sparse
+.. autoclass:: src.sparse.SparseTensor
+    :no-members:

docs/src/lib/utility.rst

@@ -8,7 +8,38 @@ Utility
 
 This section contains the API documentation for the :mod:`.utility` module.
 
-.. automodule:: src.utility
+Options and verbosity
+---------------------
+
+.. autoclass:: src.utility.Options
+.. autoclass:: src.utility.Verbosity
+
+.. IO and converters
+-----------------
+
+.. .. autofunction:: src.utility.safesave
+.. .. autofunction:: src.utility.clear_path
+.. .. autofunction:: src.utility.mat2jl
+.. .. autofunction:: src.utility.jl2mat
+
+
+Toolbox
+-------
+
+.. autofunction:: src.utility.between
+.. autofunction:: src.utility.colors
+.. autofunction:: src.utility.dim2str
+.. autofunction:: src.utility.diracdelta
+.. autofunction:: src.utility.memsize
+.. .. autofunction:: src.utility.mod1
+.. .. autofunction:: src.utility.netcon
+.. autofunction:: src.utility.randc
+.. autofunction:: src.utility.randnc
+.. autofunction:: src.utility.simulsort
+.. autofunction:: src.utility.simulsortrows
+.. autofunction:: src.utility.simulunique
+.. autofunction:: src.utility.swapvars
+.. autofunction:: src.utility.time2str
 
 
 Indices
@@ -34,12 +65,6 @@ Sparse Arrays
 .. automodule:: src.utility.sparse
 
 
-Uninit
-------
-
-.. automodule:: src.utility.uninit
-
-
 Validations
 -----------
 

src/algorithms/Dmrg.m

@@ -1,5 +1,51 @@
 classdef Dmrg
-    % Density Matrix Renormalisation Group algorithm for marix product states.
+    % `Density Matrix Renormalisation Group algorithm <https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.69.2863>`_ for marix product states.
+    %
+    % Properties
+    % ----------
+    % tol : :class:`double`
+    %   tolerance for convergence criterion, defaults to :code:`1e-10`.
+    %
+    % miniter : :class:`int`
+    %   minimum number of iteration, defaults to 5.
+    %
+    % maxiter : :class:`int`
+    %   maximum number of iteration, defaults to 100.
+    %
+    % verbosity : :class:`.Verbosity`
+    %   verbosity level of the algorithm, defaults to :code:`Verbosity.iter`.
+    %
+    % doplot : :class:`logical`
+    %   plot progress, defaults to :code:`false`.
+    %
+    % which : :class:`char`
+    %   eigenvalue selector (passed as the :code:`sigma` argument to :func:`.eigsolve`),
+    %   defaults to :code:`'largestabs'`.
+    %
+    % dynamical_tols : :class:`logical`
+    %   indicate whether or not to use a dynamical tolerance scaling for the algorithm's
+    %   subroutines based on the current error measure, defaults to :code:`false`
+    %
+    % tol_min : :class:`double`
+    %   smallest allowed convergence tolerance for soubroutines, defaults to :code:`1e-12`.
+    %
+    % tol_max : :class:`double`
+    %   highest allowed convergence tolerance for soubroutines, defaults to :code:`1e-10`.
+    %
+    % eigs_tolfactor : :class:`double`
+    %   relative scaling factor for determining the convergence tolerance of the eigensolver
+    %   subroutine based on the current error measure, defaults to :code:`1e-6`
+    %
+    % sweepstyle : :class:`char`
+    %   sweep style indicating how to sweep through the MPS at each iteration, options are:
+    %
+    %   - :code:`'f2f'`: (default) front-to-front, sweeping from site 1 to the end and back.
+    %   - :code:`'b2b'`: back-to-back, sweeping from site N to the start and back.
+    %   - :code:`'m2m'`: mid-to-mid, sweeping from the middle site to both ends and back.
+    %
+    % alg_eigs : :class:`.KrylovSchur` or :class:`.Arnoldi`
+    %   algorithm used for the local eigsolver updates, defaults to
+    %   :code:`KrylovSchur('MaxIter', 100, 'KrylovDim', 20)`.
 
     %% Options
     properties
@@ -22,7 +68,7 @@
         saveMethod = 'full'
         name = 'DMRG'
 
-        alg_eigs = KrylovSchur('MaxIter', 100, 'KrylovDim', 20) % TODO: Arnoldi has issues for DMRG specifically, need to figure out why
+        alg_eigs = KrylovSchur('MaxIter', 100, 'KrylovDim', 20)
     end
 
     properties (Access = private)
@@ -49,6 +95,37 @@
         end
 
         function [mps, envs, eta] = fixedpoint(alg, mpo, mps, envs)
+            % Find the fixed point MPS of a finite MPO, given an initial guess.
+            %
+            % Usage
+            % -----
+            % :code:`[mps, envs, eta] = fixedpoint(alg, mpo, mps, envs)`
+            %
+            % Arguments
+            % ---------
+            % alg : :class:`.Dmrg`
+            %   DMRG algorithm.
+            %
+            % mpo : :class:`.FiniteMpo`
+            %   matrix product operator.
+            %
+            % mps : :class:`.FiniteMps`
+            %   initial guess for MPS fixed point.
+            %
+            % envs : :class:`.FiniteEnvironment`
+            %   initial guess for the environments.
+            %
+            % Returns
+            % -------
+            % mps : :class:`.FiniteMps`
+            %   MPS fixed point.
+            %
+            % envs : :class:`.FiniteEnvironment`
+            %   corresponding environments.
+            %
+            % eta : :class:`double`
+            %   final error measure at convergence.
+
             arguments
                 alg
                 mpo

src/algorithms/Expand.m

@@ -1,5 +1,70 @@
 classdef Expand
     % Bond expansion algorithm for uniform matrix product states.
+    %
+    % Properties
+    % ----------
+    % bondsmethod : :class:`char`
+    %   bond expansion method, options are:
+    %
+    %   - :code:`'off'`: no bond expansion.
+    %   - :code:`'factor'`: (default) multiply the bond dimsion in each sector by a fixed
+    %     factor
+    %   - :code:`'explicit'`: manually provide bond dimension expansion.
+    %   - :code:`'extrapolate'`: extrapolate the bond dimension in each sector according to
+    %     a pre-defined exponential distribution.
+    %   - :code:`'twosite'`: expand bond dimension according to a truncated two-site update.
+    %
+    % chargesmethod : :class:`char`
+    %   charge expansion method, options are:
+    %
+    %   - :code:`'off'`: (default) no charge expansion.
+    %   - :code:`'fusionproduct'`: expand virtual charges according to the fusion product of
+    %     each previous virtual space with the corresponding physical space.
+    %   - :code:`'twosite'`: expand virtual charges according to a truncated two-site
+    %     update.
+    %
+    % schmidtcut : :class:`double`
+    %   cut in singular values used in two-site update, defaults to :code:`1e-5`.
+    %
+    % notrunc : :class:`logical`
+    %   disable truncation such that the bond dimension is only grown, defaults to
+    %   :code:`false`.
+    %
+    % noisefactor : :class:`double`
+    %   noise factor applied to expanded MPS entries in order to improve stability, defaults
+    %   to :code:`1e-3`.
+    %
+    % which : :class:`char`
+    %   eigenvalue selector used in two-site update routine (passed as the :code:`sigma`
+    %   argument to :func:`.eigsolve`), defaults to :code:`'largestabs'`.
+    %
+    % minbond : :class:`int`
+    %   minimal bond dimension in for each charge, defaults to :code:`1`
+    %
+    % maxbond : :class:`int`
+    %   maximal bond dimension for each charge, defaults to :code:`1e9`.
+    %
+    % tolbond : :class:`double`
+    %   tolerance on expanded bond dimension compared to their current values, defaults to
+    %   :code:`0.2`.
+    %
+    % bondfactor : :class:`double`
+    %   expansion factor used for the :code:`'factor'` bond expansion method, defaults to
+    %   :code:`1.2`.
+    %
+    % cutfactor : :class:`double`
+    %   cut factor used in bond dimension extrapolation for the :code:`'extrapolate'` bond
+    %   expansion method, defaults to :code:`1`.
+    %
+    % explicitbonds : :class:`int`
+    %   vector of integers indicating the bond dimsension to add/subtract for each charge,
+    %   defaults to :code:`[]`.
+    %
+    % mincharges : :class:`int`
+    %   minimal number of charges in eevery virtual space, defaults to :code:`2`.
+    %
+    % finalize : :class:`function_handle`
+    %   optional finalization.
 
     %% Options
     properties
@@ -48,7 +113,30 @@
         end
 
         function [mps2, flag] = changebonds(alg, mpo, mps1)
-            % Change sectors and bond dimensions of mps virtual spaces.
+            % Change charges and bond dimensions of MPS virtual spaces.
+            %
+            % Usage
+            % -----
+            % :code:`[mps2, flag] = changebonds(alg, mpo, mps1)`
+            %
+            % Arguments
+            % ---------
+            % alg : :class:`.Expand`
+            %   bond expansion algorithm.
+            %
+            % mpo : :class:`.InfMpo`
+            %   matrix product operator.
+            %
+            % mps1 : :class:`.UniformMps`
+            %   MPS to be expanded.
+            %
+            % Returns
+            % -------
+            % mps2 : :class:`.UniformMps`
+            %   expanded MPS.
+            %
+            % flag : :class:`struct`
+            %   explain.
 
             % canonicalize before starting
             for d = 1:depth(mps1)