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cfour

Here are 2 public repositories matching this topic...

Sumner-Group / CFOUR-parallel-anharm-scripts

Scripts for running parallel anharmonic calculations using the Slurm/Torque workload managers

computational-chemistry anharmonic-frequencies cfour

Updated Aug 19, 2023
Shell

Sumner-Group / Gaussian-External-CFOUR

Script to couple CFOUR with Gaussian via the "External" keyword

computational-chemistry electronic-structure anharmonic-frequencies sextic-distortion gaussian16 cfour

Updated Aug 19, 2023
Shell

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