Merge pull request #81 from Anselmoo/Anselmoo/issue80

Fix version number and update default value for -html flag
Anselmoo · Dec 20, 2023 · 91173a1 · 91173a1
2 parents ba9753e + 5d1bbf5
commit 91173a1
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diff --git a/poetry.lock b/poetry.lock
diff --git a/pyproject.toml b/pyproject.toml
@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "tanabesugano"
-version = "1.4.2"
+version = "1.4.3"
 description = "A python-solver for Tanabe-Sugano and Energy-Correlation diagrams"
 authors = ["Anselm Hahn <anselm.hahn@gmail.com>"]
 maintainers = ["Anselm Hahn <anselm.hahn@gmail.com>"]

diff --git a/tanabesugano/cmd.py b/tanabesugano/cmd.py
@@ -431,7 +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()

diff --git a/ts-diagrams/d7/DD-energies_d6_10Dq_40000_B_971_C_4498.csv b/ts-diagrams/d7/DD-energies_d6_10Dq_40000_B_971_C_4498.csv
diff --git a/ts-diagrams/d7/DD-energies_d7_10Dq_25065_B_971_C_4498.csv b/ts-diagrams/d7/DD-energies_d7_10Dq_25065_B_971_C_4498.csv
diff --git a/...S-diagram_d6_10Dq_40000_B_971_C_4498.html → ...-energies_d7_10Dq_25065_B_971_C_4498.html b/...S-diagram_d6_10Dq_40000_B_971_C_4498.html → ...-energies_d7_10Dq_25065_B_971_C_4498.html
diff --git a/ts-diagrams/d7/TS-diagram_d6_10Dq_40000_B_971_C_4498.csv b/ts-diagrams/d7/TS-diagram_d6_10Dq_40000_B_971_C_4498.csv
diff --git a/ts-diagrams/d7/TS-diagram_d7_10Dq_25065_B_971_C_4498.csv b/ts-diagrams/d7/TS-diagram_d7_10Dq_25065_B_971_C_4498.csv
diff --git a/...-energies_d6_10Dq_40000_B_971_C_4498.html → ...S-diagram_d7_10Dq_25065_B_971_C_4498.html b/...-energies_d6_10Dq_40000_B_971_C_4498.html → ...S-diagram_d7_10Dq_25065_B_971_C_4498.html
diff --git a/ts-diagrams/d7/TS_Cut_d6_10Dq_24000_B_971_C_4498.csv b/ts-diagrams/d7/TS_Cut_d6_10Dq_24000_B_971_C_4498.csv
diff --git a/ts-diagrams/d7/TS_Cut_d7_10Dq_24000_B_971_C_4498.csv b/ts-diagrams/d7/TS_Cut_d7_10Dq_24000_B_971_C_4498.csv
@@ -0,0 +1,21 @@
+state,cm,eV
+2_E,0,0.0000
+4_T_1,2888,0.3465
+2_T_1,21094,2.5313
+2_T_2,22023,2.6427
+4_T_2,24981,2.9977
+2_T_1,27373,3.2847
+4_T_1,37639,4.5166
+2_T_2,40118,4.8142
+2_A_1,42361,5.0833
+2_T_1,46025,5.5231
+2_E,48388,5.8065
+4_A_2,48981,5.8777
+2_T_2,50617,6.0740
+2_T_1,54711,6.5653
+2_T_2,55278,6.6334
+2_A_2,61781,7.4137
+2_E,65514,7.8617
+2_T_1,72585,8.7102
+2_E,85462,10.2555
+2_T_2,93109,11.1731