e-kwsm

nilJapan

Pinned Repositories

.vim
my .vim configuration
Language:TypeScript1 1 00
cp2k
Quantum chemistry and solid state physics software package
Language:Fortran1 1 00
dftd4
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Language:Fortran1 1 00
fprettify
auto-formatter for modern fortran source code
Language:Python4 1 00
lammps
Public development project of the LAMMPS MD software package
Language:C++1 1 00
libint
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
Language:C++1 1 00
meson
The Meson Build System
Language:Python1 0 00
mordred
a molecular descriptor calculator
Language:Python1 1 00
neovim
Vim-fork focused on extensibility and usability
Language:Vim Script1 0 00
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
Language:Python1 0 00

e-kwsm's Repositories

e-kwsm/.vim
my .vim configuration
Language:TypeScript1 1 00
e-kwsm/cp2k
Quantum chemistry and solid state physics software package
Language:Fortran1 1 00
e-kwsm/dftd4
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Language:Fortran1 1 00
e-kwsm/lammps
Public development project of the LAMMPS MD software package
Language:C++1 1 00
e-kwsm/meson
The Meson Build System
Language:Python1 0 00
e-kwsm/neovim
Vim-fork focused on extensibility and usability
Language:Vim Script1 0 00
e-kwsm/rdkit
The official sources for the RDKit library
Language:HTML1 2 00
e-kwsm/AFLplusplus
The fuzzer afl++ is afl with community patches, qemu 5.1 upgrade, collision-free coverage, enhanced laf-intel & redqueen, AFLfast++ power schedules, MOpt mutators, unicorn_mode, and a lot more!
Language:C
e-kwsm/avogadroapp
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Language:C++0 0
e-kwsm/avogadrodata
Repository for support data used by the Open Chemistry projects (including Avogadro 2)
Language:Python
e-kwsm/avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Language:C++1 01
e-kwsm/Catch2
A modern, C++-native, test framework for unit-tests, TDD and BDD - using C++14, C++17 and later (C++11 support is in v2.x branch, and C++03 on the Catch1.x branch)
Language:C++0 0
e-kwsm/cpp-d4
C++ port of DFT-D4
Language:C++0 0
e-kwsm/cppinsights
C++ Insights - See your source code with the eyes of a compiler
Language:C++0 0
e-kwsm/cpython
The Python programming language
Language:Python1 0
e-kwsm/InChI
Main InChI repository
Language:C
e-kwsm/keychain
A manager for ssh-agent and gpg-agent
Language:Shell
e-kwsm/nvchecker
New version checker for software releases
Language:Python
e-kwsm/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Language:C++2 0
e-kwsm/openchemistry
Supermodule containing submodules and external project to build all components
Language:CMake
e-kwsm/openpbs
An HPC workload manager and job scheduler for desktops, clusters, and clouds.
Language:C0 0
e-kwsm/rocm-libraries
monorepo for rocm libraries
Language:Assembly
e-kwsm/rocm-systems
super repo for rocm systems projects
Language:C++
e-kwsm/systemd
The systemd System and Service Manager
Language:C
e-kwsm/toml-f
TOML parser implementation for data serialization and deserialization in Fortran
Language:Fortran
e-kwsm/vim
The official Vim repository
Language:Vim Script1 0
e-kwsm/xtb
Semiempirical Extended Tight-Binding Program Package
Language:Fortran0 0
e-kwsm/yay
Yet another Yogurt - An AUR Helper written in Go
Language:Go
e-kwsm/zdotdir
Language:Shell1 0
e-kwsm/zsh
Mirror of the Z shell source code repository.
Language:C