Anubhab Haldar's repositories

big-testing-thoughts-dump

A landfill repo of every little script/codelet etc that I write that cannot become a proper project

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DFTK.jl

Density-functional toolkit

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DimensionfulAngles.jl

An extension of Unitful.jl to include angles as a dimension.

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gpaw-gauss-slater-bases

A bunch of UNTESTED GPAW PAW LCAO basis sets (and their corresponding PAW setups) that I made with an ansatze found in a paper. Use entirely at your own risk.

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qephon

QE ph.x and related utilities.

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coherentphonons

Convenience functions that can be used to simulate coherent phonons and nonlinear phononics

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simpledebyescattering

Very minimal pure-Python implementation of Debye scattering.

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apax

A flexible and performant framework for training machine learning potentials.

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CarrierCapture.jl

Package to compute trap-assisted electron and hole capture in semiconducting compounds

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chronum94.github.io

A refreshed version of Hyde for Jekyll 3.x and 4.x

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Entropies.jl

Estimators for probabilities and entropies of timeseries and datasets in the context of nonlinear dynamics and complex systems

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GameTheory.jl

Algorithms and data structures for game theory in Julia

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gpaw-kernels

A small collection of numerical kernels that can be manually monkey-patched into GPAW to make it go real fast (sometimes)

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Integrals.jl

A common interface for quadrature and numerical integration for the SciML scientific machine learning organization

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IntrinsicTimescaleDecomposition.jl

WIP implementation of the ITD algorithm

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IPSuite

Machine Learned Interatomic Potential Tools

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Molly.jl

Molecular simulation in Julia

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MultipleScattering.jl

A Julia library for simulating, processing, and plotting multiple scattering of waves.

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Octavian.jl

Multi-threaded BLAS-like library that provides pure Julia matrix multiplication

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py-spy

Sampling profiler for Python programs

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qe-demystify

Demystify the undocumented Quantum ESPRESSO input/output

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qe-feedstock

A conda-smithy repository for qe.

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ReservoirComputing.jl

Reservoir computing utilities for scientific machine learning (SciML)

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RestrictedBoltzmannMachines.jl

Train and sample Restricted Boltzmann machines in Julia

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SavitzkyGolay.jl

Implementation of the 1D Savitzky-Golay filter in JuliaLang

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Surrogates.jl

Surrogate modeling and optimization for scientific machine learning (SciML)

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ThinFilmsTools.jl

Tools for the design and characterisation of thin-films written in Julia.

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