tanabesugano 1.4.2__py3-none-any.whl → 1.4.3__py3-none-any.whl

tanabesugano/__init__.py

@@ -1,2 +1,2 @@
 """tanabesugano: A Python package for Tanabe-Sugano diagrams."""
-__version__ = "1.4.2"
+__version__ = "1.4.3"

tanabesugano/cmd.py

@@ -47,6 +47,7 @@ class CMDmain(object):
         self.C = C
 
         if slater:
+
             self.B, self.C = tools.racah(B, C)
         self.nroot = nroots
         energy = np.linspace(0.0, self.Dq, nroots)
@@ -73,6 +74,7 @@ class CMDmain(object):
         )
 
     def plot(self) -> None:
+
         # Figure one for classical Tanabe-Sugano-Diagram with B-dependency
         plt.figure(1)
 
@@ -105,6 +107,7 @@ class CMDmain(object):
         plt.xlabel(arg2)
 
     def savetxt(self) -> None:
+
         pd.concat(
             [
                 self.df["delta_B"],
@@ -192,30 +195,37 @@ class CMDmain(object):
         Extracting the atomic-termsymbols for a specific dq depending on the oxidation state
         """
         if self.d_count == 2:  # d2
+
             states = matrices.d2(Dq=dq_ci / 10.0, B=self.B, C=self.C).solver()
             self.ts_print(states, dq_ci=dq_ci)
 
         elif self.d_count == 3:  # d3
+
             states = matrices.d3(Dq=dq_ci / 10.0, B=self.B, C=self.C).solver()
             self.ts_print(states, dq_ci=dq_ci)
 
         elif self.d_count == 4:  # d4
+
             states = matrices.d4(Dq=dq_ci / 10.0, B=self.B, C=self.C).solver()
             self.ts_print(states, dq_ci=dq_ci)
 
         elif self.d_count == 5:  # d5
+
             states = matrices.d5(Dq=dq_ci / 10.0, B=self.B, C=self.C).solver()
             self.ts_print(states, dq_ci=dq_ci)
 
         elif self.d_count == 6:  # d6
+
             states = matrices.d6(Dq=dq_ci / 10.0, B=self.B, C=self.C).solver()
             self.ts_print(states, dq_ci=dq_ci)
 
         elif self.d_count == 7:  # d7
+
             states = matrices.d7(Dq=dq_ci / 10.0, B=self.B, C=self.C).solver()
             self.ts_print(states, dq_ci=dq_ci)
 
         elif self.d_count == 8:  # d8
+
             states = matrices.d8(Dq=dq_ci / 10.0, B=self.B, C=self.C).solver()
             self.ts_print(states, dq_ci=dq_ci)
 
@@ -286,8 +296,8 @@ class CMDmain(object):
         _template = "plotly_white"
         _size = dict(
             autosize=False,
-            width=250,
-            height=250,
+            width=800,
+            height=800,
         )
         color_discrete_sequence = [
             px.colors.qualitative.Light24[int(i[0]) - 1] for i in _col
@@ -421,7 +431,7 @@ def cmd_line() -> None:
         "-html",
         action="store_true",
         default=False,
-        help="Save TS-diagram and dd energies (default = on)",
+        help="Save TS-diagram and dd energies (default = off)",
     )
 
     args = parser.parse_args()

{tanabesugano-1.4.2.dist-info → tanabesugano-1.4.3.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: tanabesugano
-Version: 1.4.2
+Version: 1.4.3
 Summary: A python-solver for Tanabe-Sugano and Energy-Correlation diagrams
 Home-page: https://pypi.org/project/TanabeSugano
 License: MIT

{tanabesugano-1.4.2.dist-info → tanabesugano-1.4.3.dist-info}/RECORD

@@ -1,15 +1,15 @@
 LICENSE,sha256=_K3bdxWFLtrw24lxJa1SGXvicIBKn2a467v7uwyhZ6E,1068
-tanabesugano/__init__.py,sha256=bEVGLECdgoci9yV2Y1UFxDksfEFVcT5t41wq3LVwXKM,87
+tanabesugano/__init__.py,sha256=tHDi5taJmHGH1dh-V4wAyjsxfQ29o3WP_VW9HPjAyuM,87
 tanabesugano/batch.py,sha256=ECc8kIHt3lyBCBmh_lAEpa3L_T1v_2U70vJ7lxf7-EU,5626
-tanabesugano/cmd.py,sha256=lbj4zAjDdk-CQJrX9dgJYCagPsNN5jSEsnKTzH3QSSo,14141
+tanabesugano/cmd.py,sha256=3FUvmfJ5UGPsJy4s-vssdrQ-TojAQzCh2WrmRcNVfcw,14152
 tanabesugano/matrices.py,sha256=xyuQkvd1x_69nbbKWnEVmOgQ4UOZg0mTpBoVG9fcFRo,48709
 tanabesugano/test/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 tanabesugano/test/test_batch.py,sha256=TBJ90ns82XoPrC6mDM2fZuJiw8bEzoxaim1EUJEv_Ec,927
 tanabesugano/test/test_front.py,sha256=9dmDHidgXCHHTnG7Mss6qp2qpyr2E3l8qXNUlw6doow,318
 tanabesugano/test/test_num.py,sha256=KXNF6yJWQEv1uIc0RAfQ2MqeRwf-CHfaTH-fFhS-d2M,891
 tanabesugano/tools.py,sha256=m0D5IZ6XGyjNVziLL7fCQgtMtWSq1m4_XURJjmzGBkU,798
-tanabesugano-1.4.2.dist-info/LICENSE,sha256=_K3bdxWFLtrw24lxJa1SGXvicIBKn2a467v7uwyhZ6E,1068
-tanabesugano-1.4.2.dist-info/METADATA,sha256=KSZzRZ0k5YnJJ6Ni7jZml0OBfb-HhdkUWZrM3NYJrqw,6771
-tanabesugano-1.4.2.dist-info/WHEEL,sha256=FMvqSimYX_P7y0a7UY-_Mc83r5zkBZsCYPm7Lr0Bsq4,88
-tanabesugano-1.4.2.dist-info/entry_points.txt,sha256=xcm1HBKYnpfhfLPKBj_8wENPGviAy0_yx1RCrNcvOV4,58
-tanabesugano-1.4.2.dist-info/RECORD,,
+tanabesugano-1.4.3.dist-info/LICENSE,sha256=_K3bdxWFLtrw24lxJa1SGXvicIBKn2a467v7uwyhZ6E,1068
+tanabesugano-1.4.3.dist-info/METADATA,sha256=1T-kpKfsU6FV67pQoO5N3Hx55ZcyAg97NI0aXKw5yiQ,6771
+tanabesugano-1.4.3.dist-info/WHEEL,sha256=FMvqSimYX_P7y0a7UY-_Mc83r5zkBZsCYPm7Lr0Bsq4,88
+tanabesugano-1.4.3.dist-info/entry_points.txt,sha256=xcm1HBKYnpfhfLPKBj_8wENPGviAy0_yx1RCrNcvOV4,58
+tanabesugano-1.4.3.dist-info/RECORD,,