Calculates quasi-harmonic free energies from Gaussian output files with temperature and haptic corrections

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  • Author: Robert Paton
  • Tags compchem, thermochemistry, gaussian, vibrational-entropies, temperature
  • Requires: Python >=2.6

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  • Author: Robert Paton
  • Tags compchem, thermochemistry, gaussian, vibrational-entropies, temperature
  • Requires: Python >=2.6

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3.2

3.1.1

3.1.0

3.0.1

3.0.0

This version

2.0.3

2.0.2

2.0.1

1.0.2

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