MMgroup@unibas
Repository for free and open-source code developed by people from Markus Meuwly's group at university of Basel, Switzerland
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Showing 10 of 55 repositories
- H2COO-PhysNet Public
- PhysNet_f32f64 Public Forked from sikaeser/PhysNet_f32f64
Single- and double-precision Codes for PhysNet
- physnet-pycharmm Public
- MP2-HeH2P-PES Public Forked from LIVazquezS/MP2-HeH2P-PES
Potential energy surface of HeH2P using MP2 method
- dmc_gpu_PhysNet Public
GPU implementation of the diffusion monte carlo algorithm for use with PhysNet interatomic potentials
- vpt2_tutorial Public
Tutorial describing the use of external potential energy surfaces (PhysNet) in Gaussian for the calculation of VPT2 Frequencies
- Criegee-CASPT2 Public