returning previous form of 1b exporting of matrix elements(no permuta…

…tions)

helpers/TBME_Runner.py

@@ -378,6 +378,15 @@ def _sortQQNNFromTheValenceSpace(self):
         q_numbs = list(combinations_with_replacement(q_numbs, 2))
 
         self._twoBodyQuantumNumbersSorted = q_numbs
+
+        all_permut_ = []
+        for a,b in self._twoBodyQuantumNumbersSorted:
+            all_permut_.append((a,b))
+            if a != b:
+                all_permut_.append((b,a))
+        all_permut_.sort()
+        self._allPermutations_twoBodyQuantumNumbers = all_permut_
+        self._allPermutations_twoBodyQuantumNumbers = self._twoBodyQuantumNumbersSorted
 
     def _compute1BodyMatrixElements(self, kin=False, force=None):
         """
@@ -415,7 +424,7 @@ def _compute1BodyMatrixElements(self, kin=False, force=None):
             else:
                 return 
 
-        for q_numb in self._twoBodyQuantumNumbersSorted:
+        for q_numb in self._allPermutations_twoBodyQuantumNumbers:
             bra = QN_1body_jj(*readAntoine(q_numb[0], l_ge_10=True))
             ket = QN_1body_jj(*readAntoine(q_numb[1], l_ge_10=True))
 
@@ -1009,7 +1018,7 @@ def _print_10b_file(self, title=''):
         core_energy = getattr(core, CoreParameters.energy, '0.0') 
 
         strings_ = [title, core_energy,] # title
-        for a, b in self._twoBodyQuantumNumbersSorted:
+        for a, b in self._allPermutations_twoBodyQuantumNumbers:
             a = castAntoineFormat2Str(a, l_ge_10=True)
             b = castAntoineFormat2Str(b, l_ge_10=True)
             val_ab_p, val_ab_n = 0.0, 0.0

main.py

@@ -37,14 +37,14 @@
         pass
         # TODO: Run the program from a file 'input.xml' next to the main
 
-        #_runner = TBME_SpeedRunner(filename='input_B1.xml')
+        # _runner = TBME_SpeedRunner(filename='input_B1.xml')
         # _runner = TBME_Runner(filename='input.xml')
         # _runner = TBME_SpeedRunner(filename='input.xml')
         # _ = 0
         # _runner = TBME_Runner(filename='input_D1S.xml')
         # _runner.run()
 
-        _runner = TBME_SpeedRunner(filename='input.xml', verbose=True)
+        _runner = TBME_SpeedRunner(filename='input.xml', verbose=False)
         # _runner = TBME_SpeedRunner(filename='input_D1S.xml', verbose=False)
         _runner.run()
 
@@ -238,4 +238,4 @@
     # BrinkBoeker.turnDebugMode(False)
     # _runner = TBME_Runner(filename='input.xml')
     # _runner.run()
-
+

matrix_elements/CentralForces.py

@@ -1038,7 +1038,7 @@ def setInteractionParameters(cls, *args, **kwargs):
         b_len = float(kwargs.get(_b))
         cls.PARAMS_SHO[_b] = b_len
         cls.PARAMS_SHO[_A] = int(kwargs.get(_A))
-        hbaromega = (Constants.HBAR_C**2) / (Constants.M_NUCLEON * (b_len**2))
+        hbaromega = (Constants.HBAR_C**2) / (Constants.M_MEAN * (b_len**2))
         cls.PARAMS_SHO[_ho] = hbaromega
 
     def _run(self):
@@ -1061,7 +1061,7 @@ def _run(self):
         elif (n_a == n_b - 1):
             val = (n_b * (2*n_b + l_b + 0.5))**.5
         elif (n_a == n_b + 1):
-            val = ((n_b + 1) * (2*n_b + l_b + 1.5))**.5
+            val = (n_a * (2*n_a + l_a + 0.5))**.5
 
         self._value  = 0.5 * val * self.PARAMS_SHO[SHO_Parameters.hbar_omega]
 

matrix_elements/MultipoleForces.py

@@ -268,6 +268,7 @@ def _run(self):
             XLog.write('nas_me', ket=self.ket.shellStatesNotation)
 
         self._value = 0.0
+        if ((self.bra.j + self.ket.j) // 2) % 2 == 1: return
 
         L = self.PARAMS_FORCE[CentralMEParameters.n_power]
         C = self.PARAMS_FORCE[CentralMEParameters.constant]