sopy-quantum 2.0.0__tar.gz → 2.0.4__tar.gz

{sopy_quantum-2.0.0/sopy_quantum.egg-info → sopy_quantum-2.0.4}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: sopy-quantum
-Version: 2.0.0
+Version: 2.0.4
 Summary: Representation and Decomposition with Sums of Product for Operations in separated dimensions. Now using bandlimit place data on lattice.
 Author-email: Jonathan Jerke <jonathan@quantumgalaxies.org>
 License-Expression: MIT
@@ -112,7 +112,7 @@ Get the Euclidean distance from vector v-k and q
 
 Reduce v with Fibonacci procedure
 
-	v.Fibonacci(ambiguity_rate=0.1).dist(v)
+	v.Fibonacci(ambiguity_rate=0).dist(v)
 
 The ambiguity rate will keep things real under recursive iterations driven by external programs.
 
@@ -129,6 +129,6 @@ The ambiguity rate will keep things real under recursive iterations driven by ex
 
 [ SoPy Website ](https://sopy.quantumgalaxies.org)
 
-[ Quantum Galaxies Articles ](https://www.quantumgalaxies.org/articles)
+[ Quantum Galaxies Articles ](https://www.quantumgalaxies.org)
 
 [ Quantum Galaxies Corporation ](https://www.quantumgalaxies.com)

{sopy_quantum-2.0.0 → sopy_quantum-2.0.4}/README.md

@@ -88,7 +88,7 @@ Get the Euclidean distance from vector v-k and q
 
 Reduce v with Fibonacci procedure
 
-	v.Fibonacci(ambiguity_rate=0.1).dist(v)
+	v.Fibonacci(ambiguity_rate=0).dist(v)
 
 The ambiguity rate will keep things real under recursive iterations driven by external programs.
 
@@ -105,6 +105,6 @@ The ambiguity rate will keep things real under recursive iterations driven by ex
 
 [ SoPy Website ](https://sopy.quantumgalaxies.org)
 
-[ Quantum Galaxies Articles ](https://www.quantumgalaxies.org/articles)
+[ Quantum Galaxies Articles ](https://www.quantumgalaxies.org)
 
 [ Quantum Galaxies Corporation ](https://www.quantumgalaxies.com)

{sopy_quantum-2.0.0 → sopy_quantum-2.0.4}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "sopy-quantum"
-version = "2.0.0"
+version = "2.0.4"
 authors = [
   { name="Jonathan Jerke", email="jonathan@quantumgalaxies.org" },
 ]

sopy_quantum-2.0.4/sopy/pyscf/__init__.py

@@ -0,0 +1,26 @@
+# A generic stub that covers all the required extras for this module
+def _missing_ext_stub(*args, **kwargs):
+    raise ImportError(
+        "This feature requires additional optional dependencies (pyscf, numpy, pandas). "
+        "Please install them using: pip install sopy-quantum[pyscf]" 
+        # Update the bracket tag above if you named the group something else!
+    )
+
+try:
+    from .ext import get_orbital, get_basis, tabulate, rotation_matrix_from_euler
+
+except ImportError as e:
+    # Check if the error is caused by ANY of the missing optional packages
+    error_msg = str(e).lower()
+    known_extras = ['pyscf', 'numpy', 'pandas',]
+    
+    if any(pkg in error_msg for pkg in known_extras):
+        get_orbital = _missing_ext_stub
+        get_basis = _missing_ext_stub
+        tabulate = _missing_ext_stub
+        rotation_matrix_from_euler = _missing_ext_stub
+    else:
+        # If the import failed for a completely different reason (e.g., a typo in .ext), raise it
+        raise e
+
+__all__ = ['get_orbital', 'get_basis', 'tabulate', 'rotation_matrix_from_euler']

sopy_quantum-2.0.4/sopy/tensorly/__init__.py

@@ -0,0 +1,26 @@
+# A generic stub that covers all the required extras for this module
+def _missing_ext_stub(*args, **kwargs):
+    raise ImportError(
+        "This feature requires additional optional dependencies (pyscf, numpy, pandas). "
+        "Please install them using: pip install sopy-quantum[pyscf]" 
+        # Update the bracket tag above if you named the group something else!
+    )
+
+try:
+    from .ext import reduce, image
+
+except ImportError as e:
+    # Check if the error is caused by ANY of the missing optional packages
+    error_msg = str(e).lower()
+    known_extras = ['tensorly']
+    
+    if any(pkg in error_msg for pkg in known_extras):
+        get_orbital = _missing_ext_stub
+        get_basis = _missing_ext_stub
+        tabulate = _missing_ext_stub
+        rotation_matrix_from_euler = _missing_ext_stub
+    else:
+        # If the import failed for a completely different reason (e.g., a typo in .ext), raise it
+        raise e
+
+__all__ = ['reduce','image']

{sopy_quantum-2.0.0 → sopy_quantum-2.0.4}/sopy/vector/operand.py

@@ -21,6 +21,8 @@ class Operand():
     def copy(self, norm_ = True, threshold = 0.):
         return Operand(self.re.copy(norm_ = norm_, threshold = threshold), self.im.copy(norm_=norm_, threshold = threshold))
         
+    def __len__(self):
+        return (len(self.re)+len(self.im))
         
     def complex1(self,  ctl1, ext_i, mask = [] , dict_lattices = None):
         """
@@ -240,7 +242,7 @@ class Operand():
         f = Operand( Vector().flat(lattices) , Vector().flat(lattices))
         return self.cdot(f)
 
-    def cot(self, other):
+    def dot(self, other):
         """complex outer product"""
         return self.cdot(other)
 
@@ -248,3 +250,52 @@ class Operand():
         """complex dot product"""
         return complex( self.re.dot(other.re) + self.im.dot(other.im) , self.im.dot(other.re) - self.re.dot(other.im) ) 
 
+    def __imul__(self, c):
+        if abs(c) == 0:
+            return Operand( Vector(), Vector())
+        if abs( tf.math.imag(c)) < 1e-6 :
+           re = tf.math.real(c)
+           im = None
+        elif abs( tf.math.real(c)) < 1e-6 :
+           im = tf.math.imag(c)
+           re = None
+        else:
+           re = tf.math.real(c)
+           im = tf.math.imag(c)
+
+        if re is not None:
+            self.re *= re
+            self.im *= re
+            return self
+        if im is not None:
+            self.re *= im
+            self.im *= -im
+            return self.swap()
+        return Operand( self.re.mul(re) - self.im.mul(im), self.re.mul(im) + self.im.mul(re))
+
+
+    def swap(self):
+       self.re, self.im = self.im, self.re
+       return self
+    
+    def __iadd__(self, other):
+        self.re += other.re
+        self.im += other.im
+        return self
+    
+    def Fibonacci(self, canon=None, ambiguity_rate = 0.1,  level = 0, iterate=10, total_iterate=3, alpha=1e-9, total_alpha=1e-9, tune_rate=0.01, max_allowed_distance=2.0):
+        return Operand( self.re.Fibonacci(canon, ambiguity_rate, level, iterate, total_iterate, alpha, total_alpha, tune_rate),
+                        self.im.Fibonacci(canon, ambiguity_rate, level, iterate, total_iterate, alpha, total_alpha, tune_rate)
+        )
+    
+    def mul(self, re):
+       self *= re
+       return self
+
+    def n(self):
+       return tf.math.real(tf.math.sqrt( self.dot(self) ) )
+    
+    def __sub__(self, spc):
+       self.re -= spc.re
+       self.im -= spc.im
+       return self

{sopy_quantum-2.0.0 → sopy_quantum-2.0.4}/sopy/vector/vector.py

@@ -102,29 +102,36 @@ class Vector :
 
     def copy(self, norm_:bool =False, threshold:float = 0.):
         new = Vector()
-        for rank in self:
-            other = Vector()
-            components = [rank.components[0].copy()]
-            for d in self.dims(True):
-                components += [rank.components[d].copy()]
-            other.components = components
-            new += other
+        if not self.components:
+            return new
+        if len(self) == 0:
+            return new
+        components = [self.components[0].copy()]
+        for d in self.dims(True):
+            components += [self.components[d].copy()]
+        new.components = components
         if norm_:
            return new.balance(threshold)
         return new
         
     def balance(self, threshold = 0.):
         ranks = Vector()
-        for rank in self:
+        for i,rank in enumerate(self):
             amp = rank.n()
-            if tf.math.abs(amp) < threshold:
-                continue
+            if (tf.math.is_nan(amp) or (amp == 0.)).numpy() :
+                ## sometimes i pass in a single zero term
+                content = [Amplitude(a=0)]
+                for d in self.dims(True):
+                    content += [rank.components[d].flat()]
             else:
-                content = [Amplitude(a = amp)] 
-            for d in self.dims(True):
-                content += [rank.components[d].normalize()]
+                if tf.math.abs(amp) < threshold:
+                    continue
+                else:
+                    content = [Amplitude(a = amp)] 
+                for d in self.dims(True):
+                    content += [rank.components[d].normalize()]
             new = Vector()
-            new.components = [content]
+            new.components = content
             ranks += new
         return ranks
 
@@ -505,8 +512,8 @@ class Vector :
             return self
         if len(self) == 0:
             return Vector()
-        kmeans = KMeans(n_clusters=(len(self)+len(other)), random_state=42, n_init="auto")
-        M = (self+other).dot(self+other, sum_ = False)
+        kmeans = KMeans(n_clusters=min(len(self), len(other)+1), random_state=42, n_init="auto")
+        M = (self+other).dot(other, sum_ = False)
         kmeans.fit(M)
         new = Vector()
         for ic, canon in enumerate(self):

{sopy_quantum-2.0.0 → sopy_quantum-2.0.4/sopy_quantum.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: sopy-quantum
-Version: 2.0.0
+Version: 2.0.4
 Summary: Representation and Decomposition with Sums of Product for Operations in separated dimensions. Now using bandlimit place data on lattice.
 Author-email: Jonathan Jerke <jonathan@quantumgalaxies.org>
 License-Expression: MIT
@@ -112,7 +112,7 @@ Get the Euclidean distance from vector v-k and q
 
 Reduce v with Fibonacci procedure
 
-	v.Fibonacci(ambiguity_rate=0.1).dist(v)
+	v.Fibonacci(ambiguity_rate=0).dist(v)
 
 The ambiguity rate will keep things real under recursive iterations driven by external programs.
 
@@ -129,6 +129,6 @@ The ambiguity rate will keep things real under recursive iterations driven by ex
 
 [ SoPy Website ](https://sopy.quantumgalaxies.org)
 
-[ Quantum Galaxies Articles ](https://www.quantumgalaxies.org/articles)
+[ Quantum Galaxies Articles ](https://www.quantumgalaxies.org)
 
 [ Quantum Galaxies Corporation ](https://www.quantumgalaxies.com)

sopy_quantum-2.0.0/sopy/pyscf/__init__.py

@@ -1,16 +0,0 @@
-try:
-    from .ext import get_orbital
-    from .ext import get_basis
-    from .ext import tabulate
-    from .ext import rotation_matrix_from_euler
-    
-    __all__ = ['get_orbital', 'get_basis', 'tabulate', 'rotation_matrix_from_euler']
-
-except ImportError as e:
-    if 'pyscf' in str(e):
-        raise ImportError(
-            "Missing optional dependency 'pyscf'. "
-            "Please install it using: pip install sopy[pyscf]"
-        ) from e
-    else:
-        raise e

sopy_quantum-2.0.0/sopy/tensorly/__init__.py

@@ -1,15 +0,0 @@
-try:
-    from .ext import reduce
-    from .ext import image
-    __all__ = ['reduce', 'image']
-
-except ImportError as e:
-    # Check if the error is actually because 'tensorly' is missing
-    # (and not some other syntax error in your code)
-    if 'tensorly' in str(e) or 'tensorflow' in str(e):
-        raise ImportError(
-            "Missing optional dependency 'tensorly'. "
-            "Please install it using: pip install sopy[tensorly]"
-        ) from e
-    else:
-        raise e