HugoStrand · yaroslav-zhumagulov · Sep 21, 2017 · Sep 21, 2017 · Sep 21, 2017 · Sep 21, 2017
diff --git a/.gitignore b/.gitignore
@@ -0,0 +1,6 @@
+
+*.pyc
+*checkpoint.ipynb
+doc/.DS_Store
+.DS_Store
+dist/.DS_Store
diff --git a/.ipynb_checkpoints/Documentation-checkpoint.ipynb b/.ipynb_checkpoints/Documentation-checkpoint.ipynb
diff --git a/Anderson.ipynb b/Anderson.ipynb
diff --git a/Documentation.ipynb b/Documentation.ipynb
diff --git a/LICENSE.txt b/LICENSE.txt
@@ -1,18 +1,17 @@
 
 PYED: Exact diagonalization routines for finite quantum systems
 
-Copyright (C) 2017 by H. U.R. Strand
+Copyright (C) 2018 by H. U.R. Strand, Ya.V. Zhumagulov
 
 PYED is free software: you can redistribute it and/or modify it under the
 terms of the GNU General Public License as published by the Free Software
 Foundation, either version 3 of the License, or (at your option) any later
 version.
- 
+
 PYED is distributed in the hope that it will be useful, but WITHOUT ANY
 WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A
 PARTICULAR PURPOSE. See the GNU General Public License for more details.
 
 You should have received a copy of the GNU General Public License along with
 TRIQS (in the file COPYING.txt in this directory). If not, see
 <http://www.gnu.org/licenses/>.
-
diff --git a/MANIFEST b/MANIFEST
@@ -0,0 +1,8 @@
+# file GENERATED by distutils, do NOT edit
+setup.py
+pyed/CubeTetras.py
+pyed/SparseExactDiagonalization.py
+pyed/SparseMatrixFockStates.py
+pyed/SquareTriangles.py
+pyed/TriqsExactDiagonalization.py
+pyed/__init__.py
diff --git a/Readme.md b/Readme.md
@@ -1,28 +1,20 @@
 # **PYED**: Exact diagonalization for finite quantum systems
 
-Copyright (C) 2017, H. U.R. Strand
+Copyright (C) 2018, H. U.R. Strand
 
 The python module `pyed` implements exact diagonalization for finite fermionic many-body quantum systems, together with calculations of several response functions in imagianary time.
 
 The many-body system is defined using `pytriqs` second-quantized operators and the response functions are stored in `pytriqs` Green's function containters.
 
 The original purpose of `pyed` is to provide exact solutions to small finite systems, to be used as benchmarks and tests for stochastic many-body solvers.
 
-## Dependencies
-
-`pyed` requires [the `triqs` library](https://github.com/TRIQS/triqs) to be installed from the `unstable` banch or version `1.5` scheduled for release late 2017.
 
 ## Installation
 
-To do: Add `setup_utils` install script
-
-There is currently no formal installation scripts packed with `pyed`. To use and develop the module simply ammend your `PYTHON_PATH` with the `./pyed/` folder, e.g., add the follwing
-
 ```
-export PYTHON_PATH=${HOME}/path/to/pyed:$PYTHON_PATH
+pip install git+https://github.com/yaros72/pyed
 ```
 
-in your `.bashrc`, `.bash_profile`, or `.profile` file.
 
 ## Documentation
 

diff --git a/dist/pyed-0.0.0.tar.gz b/dist/pyed-0.0.0.tar.gz
diff --git a/doc/.ipynb_checkpoints/Documentation_CPT_2D-checkpoint.ipynb b/doc/.ipynb_checkpoints/Documentation_CPT_2D-checkpoint.ipynb
diff --git a/doc/Anderson.ipynb b/doc/Anderson.ipynb
diff --git a/doc/Documentation.ipynb b/doc/Documentation.ipynb
diff --git a/doc/figure_densdens_tau.png b/doc/figure_densdens_tau.png
diff --git a/doc/figure_g3pp_tau.png b/doc/figure_g3pp_tau.png
diff --git a/doc/figure_g_iwn.png b/doc/figure_g_iwn.png
diff --git a/doc/figure_g_tau.png b/doc/figure_g_tau.png
diff --git a/pyed/CubeTetras.py b/pyed/CubeTetras.py
@@ -1,5 +1,5 @@
 
-""" 
+"""
 Helper routines for the equal time imaginary time cube and
 its sub tetrahedrons.
 
@@ -11,23 +11,29 @@
 import itertools
 import numpy as np
 
+# ----------------------------------------------------------------------
+def Idxs(integer_index_list):
+    from pytriqs.gf import Idx
+    return tuple( Idx(i) for i in integer_index_list )
+
 # ----------------------------------------------------------------------
 def zero_outer_planes_and_equal_times(g4_tau):
 
+    from pytriqs.gf import Idx
     beta = g4_tau.mesh.components[0].beta
-    
+
     for idxs, (t1, t2, t3) in enumerate_tau3(g4_tau):
         if t1 == t2 or t2 == t3 or t1 == t3 or \
            t1 == 0 or t1 == beta or \
            t2 == 0 or t2 == beta or \
            t3 == 0 or t3 == beta:
-            g4_tau[list(idxs)][:] = 0.0
+            g4_tau[Idxs(idxs)] = 0.0
 
 # ----------------------------------------------------------------------
 def enumerate_tau3(g4_tau, make_real=True, beta=None):
 
     from pytriqs.gf import MeshImTime, MeshProduct
-    
+
     assert( type(g4_tau.mesh) == MeshProduct )
 
     for mesh in g4_tau.mesh.components:
@@ -40,13 +46,13 @@ def enumerate_tau3(g4_tau, make_real=True, beta=None):
             yield (i1, i2, i3), (t1.real, t2.real, t3.real)
         else:
             yield (i1, i2, i3), (t1, t2, t3)
-            
+
 # ----------------------------------------------------------------------
 class CubeTetrasBase(object):
 
     """ Base class with definition of the equal time tetrahedrons
     in three fermionic imaginary times. """
-    
+
     def get_tetra_list(self):
 
         tetra_list = [
@@ -57,17 +63,17 @@ def get_tetra_list(self):
             (lambda x,y,z : x >= z and z >= y, [0, 2, 1], -1),
             (lambda x,y,z : z >= x and x >= y, [2, 0, 1], +1),
             ]
-        
+
         return tetra_list
 
 # ----------------------------------------------------------------------
 class CubeTetras(CubeTetrasBase):
 
     """ Helper class for two-particle Green's function.
-    
+
     Looping over all tetrahedrons in the imaginary time cube.
     \tau_1, \tau_2, \tau_3 \in [0, \beta) """
-    
+
     # ------------------------------------------------------------------
     def __init__(self, tau):
 
@@ -79,38 +85,38 @@ def __init__(self, tau):
     def __iter__(self):
 
         for tidx in xrange(6):
-            
+
             func, perm, perm_sign = self.tetra_list[tidx]
-    
+
             index = []
             for n1, n2, n3 in itertools.product(
                     range(self.ntau), repeat=3):
                 if func(n1, n2, n3): index.append((n1, n2, n3))
 
             index = np.array(index).T
-            
+
             i1, i2, i3 = index
             t1, t2, t3 = self.tau[i1], self.tau[i2], self.tau[i3]
 
             taus = np.vstack([t1, t2, t3])
-        
+
             yield list(index), taus, perm, perm_sign
 
 # ----------------------------------------------------------------------
 class CubeTetrasMesh(CubeTetrasBase):
 
     """ Helper class for Triqs two-particle Green's function
     in imaginary time.
-    
+
     Looping over all tetrahedrons in the imaginary time cube.
     \tau_1, \tau_2, \tau_3 \in [0, \beta) """
-    
+
     # ------------------------------------------------------------------
     def __init__(self, g4_tau):
 
         self.g4_tau = g4_tau
         self.tetra_list = self.get_tetra_list()
-        
+
     # ------------------------------------------------------------------
     def __iter__(self):
 
@@ -120,7 +126,7 @@ def __iter__(self):
         tetra_tau = [ [] for n in xrange(6) ]
 
         for idxs, taus in enumerate_tau3(self.g4_tau):
-            
+
             for tidx, tetra in enumerate(self.tetra_list):
                 func, perm, perm_sign = tetra
 
@@ -133,5 +139,5 @@ def __iter__(self):
             func, perm, perm_sign = self.tetra_list[tidx]
 
             yield tetra_idx[tidx], tetra_tau[tidx], perm, perm_sign
-            
+
 # ----------------------------------------------------------------------