https://github.com/lisechemistry/numerical_methods_master_projects
Numerical projects using Fortran and Python: interpolation/extrapolation of molecular potentials (O₂, C₂H₅), integration and differentiation (average value, VO₂(R)), and model fitting of a spectroscopic Hamiltonian.
https://github.com/lisechemistry/numerical_methods_master_projects
differentiation extrapolation fortran integration interpolation-methods numerical-methods python sobol-sequence
Last synced: 4 months ago
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Numerical projects using Fortran and Python: interpolation/extrapolation of molecular potentials (O₂, C₂H₅), integration and differentiation (average value, VO₂(R)), and model fitting of a spectroscopic Hamiltonian.
- Host: GitHub
- URL: https://github.com/lisechemistry/numerical_methods_master_projects
- Owner: LiseChemistry
- License: mit
- Created: 2025-04-09T20:27:10.000Z (6 months ago)
- Default Branch: main
- Last Pushed: 2025-04-13T21:00:31.000Z (6 months ago)
- Last Synced: 2025-06-04T00:11:09.658Z (4 months ago)
- Topics: differentiation, extrapolation, fortran, integration, interpolation-methods, numerical-methods, python, sobol-sequence
- Language: Fortran
- Homepage:
- Size: 313 KB
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
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Metadata Files:
- Readme: README.md
- License: LICENSE