We are happy to announce the new MidasCpp 2021.04.0 release. Just follow the instruction in the manual or directly go to our GitLab page to clone the git repository or to download the source code.

The release contains a few bug-fixes and as new features we include

New Features

• Added the calculation code to the second line of the midasifc.xyz_input files for PES generation using generic single points.
• New wave-function methods
• Added TDMVCC[k] method with time-dependent modals (using full-space matrix implementation)
  
  

Bugfixes

• Fixes a problem with the capping procedure for non-covalently bonded fragments within Falcon, and adds an option to turn it off (#4 NoCapping under #3 ModVibCoord).
• Fixes incrorrectly generated maximum powers for polynomial fit functions in DIF potential constructions.
  
  

Changed defaults

• Changed the .fitbas files to start reading their keywords from level 1 instead of level 3.
• Changed the fitbasis input heirachy, please consult the manual and the examples in the test_suite and example suite for a detailed explanation.
• Changed the #0MidasMopInput keyword to #0MidasOperator and #0MidasMopInputEnd to #0MidasOperatorEnd, using the old keywords results in a warning.
• Changed the #0MoleculeInput keyword to #0MidasMolecule and #0MoleculeInputEnd to #0MidasMoleculeEnd, using the old keywords results in a warning.

Let us know if you encounter any problems.