CCQC/ConcordantModes
The Concordant Mode Approach utilizes lower level of theory normal modes to compute higher level force constants at a fraction of the cost!
PythonBSD-3-Clause
Issues
- 0
inconsistent data types from zmat
#18 opened by AlexHeide
The Concordant Mode Approach utilizes lower level of theory normal modes to compute higher level force constants at a fraction of the cost!
PythonBSD-3-Clause