Pinned Repositories
cp2k
Quantum chemistry and solid state physics software package
dftdata
NIST DFT Atomic Reference Data
fftool
Tool to build force field input files for molecular simulation.
gdown
Download a large file from Google Drive (curl/wget fails because of the security notice).
LAMMPS_conp-ME
A optimzied constant potential method in LAMMPS
lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
libmsym
molecular point group symmetry lib
molpy
A data structure used to describe molecules in computational chemistry, just like numpy in data science
openmx
a fork of DFT openMX
kylincaster's Repositories
kylincaster/LAMMPS_conp-ME
A optimzied constant potential method in LAMMPS
kylincaster/cp2k
Quantum chemistry and solid state physics software package
kylincaster/dftdata
NIST DFT Atomic Reference Data
kylincaster/fftool
Tool to build force field input files for molecular simulation.
kylincaster/gdown
Download a large file from Google Drive (curl/wget fails because of the security notice).
kylincaster/lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
kylincaster/libmsym
molecular point group symmetry lib
kylincaster/molpy
A data structure used to describe molecules in computational chemistry, just like numpy in data science
kylincaster/openmx
a fork of DFT openMX
kylincaster/openmx-hks
A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files
kylincaster/task-spooler-PLUS
A task scheduler designed for CPU tasks that includes new features such as multi-user support, fatal crash recover and cpu allocation and bindingy
kylincaster/UnsafeArrays.jl
Stack-allocated pointer-based array views
kylincaster/ZeroBasedIndexing.jl
Zero-based indexing