wenyan4work

wenyan4work

User data from Github https://github.com/wenyan4work

Company:@flatironinstitute

Location:Seattle

Home Page:https://wenyan4work.net

GitHub:@wenyan4work

wenyan4work's repositories

STKFMM

A C++ library for various Laplace/Stokes kernels

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SafeFFT

A thread safe simple C++ wrapper for FFTW & MKL

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PeriodicFMM

The periodic wrapper and operator data generator to be used with PVFMM

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SphereSimulator

A boundary integral simulation tool based on spherical harmonics

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SimToolbox

A toolbox for object-tracking simulation

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pvfmm

A fork with periodic boundary conditions of the original pvfmm by dmalhotra

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DemoSIMD

A collection of simple programs to demo simd and cache tricks

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CSDmp

A pedagogical code to demonstrate the Conventional Stokesian Dynamics algorithm

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mini-nbody

A simple gravitational N-body simulation in less than 100 lines of C code, with CUDA optimizations.

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FDPS

Github repository for FDPS

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forcebalance

Systematic force field optimization.

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mlinterp

Fast arbitrary dimension linear interpolation in C++

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openff-evaluator

A physical property evaluation toolkit from the Open Forcefield Consortium.

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point_cloud

A tiny python script to compute rdf and structure factor for 2D/3D periodic isotropic point cloud

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ProLIF

Interaction Fingerprints for protein-ligand complexes and more

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recip_rsqrt_benchmark

Benchmark of vectorized implementations of (1/x) and (1/sqrt(x))

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SE_unified

The Spectral Ewald method for a wide range of kernels.

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SlurmSub

Slurm job submission scripts with proper thread binding

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