Minor changes

ioChem-BD · May 22, 2021 · 3810a00 · 3810a00
1 parent 1d096f0
commit 3810a00
Showing 1 changed file with 4 additions and 2 deletions.
diff --git a/conversion-test-dataset.rst b/conversion-test-dataset.rst
@@ -14,9 +14,11 @@ iochem-BD handles results obtained from:
 
 -  ADF 2009, 2010, 2011, 2012, 2013, 2014
 -  Gaussian ’09
+-  Gronor 21
 -  Turbomole 6.4
 -  VASP 5.3.2
 -  Orca 3.0.1
+-  Molcas 8.0
 
 Find below some examples used to check data capture and manipulation mechanisms coded inside ioChem-BD.
 
@@ -287,8 +289,8 @@ Orca 3.0.1
 | ReCO2                      | `Input <https://www.iochem-bd.org/data-conversion/v1.0.0/orca/ReCO2/reco2.inp>`__ / `Output <https://www.iochem-bd.org/data-conversion/v1.0.0/orca/ReCO2/reco2.out>`__             | Single point Excited stateTDDFT (PBE0 D3) Excited states with TDDFT + dispersion correction     | `CML <https://www.iochem-bd.org/data-conversion/v1.0.0/orca/ReCO2/reco2.out.xml>`__                     | `HTML5 <https://www.iochem-bd.org/data-conversion/v1.0.0/orca/ReCO2/reco2.out.html>`__                                                                                             |
 +----------------------------+------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+-------------------------------------------------------------------------------------------------+---------------------------------------------------------------------------------------------------------+------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
 
-Molcas 8.0 (BETA)
-~~~~~~~~~~~~~~~~~
+Molcas 8.0
+~~~~~~~~~~
 
 +-------------------------+------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------+---------------------------------------------------------------------------------------------------------------+------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
 | Calculation name        | Source files                                                                                                                                                                                         | Properties                                               | Generated CML file                                                                                            | CML derived content                                                                                                                                                                                  |