Page Index - Trebonius91/utils4VASP GitHub Wiki
78 page(s) in this GitHub Wiki:
- Home
- Welcome to the utils4VASP wiki!
- Ab Initio Molecular Dynamics
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- analyze_poscar.py
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- analyze_slab
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- Bader Charges
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- Band Structure
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- build_adsorbates.py
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- build_alloy.py
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- Charge Density Difference Plots
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- Core Level (Shifts)
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- cut_unitcell
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- Density of States
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- Description of Input Files
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- Electrostatic Potential
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- eval_bader
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- eval_stm
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- External Electric Fields
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- gen_incar.py
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- Geometry Optimization
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- Gibbs Free Energies
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- Implicit Solvation
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- Machine‐Learning Force Fields
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- manage_cls
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- manage_mlff_md.py
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- manage_neb.py
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- mlff_select
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- mlp_quality
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- modify_poscar.py
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- modify_xdatcar
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- Normal Modes and IR Spectrum
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- Nudged Elastic Band
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- partial_dos
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- Simulation of STM Pictures
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- Singe Point Energy
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- split_freq
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- Steered Molecular Dynamics
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- TS Optimization
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- Two‐Dimensional Charge Densities
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- vasp2trainset
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