Popular repositories Loading

1. pre_lmp pre_lmp Public

   convert a PWmat atomic configuration file to a lammps data file.

   Python

2. DFT_PCG_atomic_relaxation DFT_PCG_atomic_relaxation Public

   Fortran

3. DirectXShaderCompiler DirectXShaderCompiler Public

   Forked from gongminmin/DirectXShaderCompiler

   This repo hosts the source for the DirectX Shader Compiler which is based on LLVM/Clang.

   C++

4. auto_passivation auto_passivation Public

   passivate a structure with -NHCH2CH2OH

5. pySrun4k pySrun4k Public

   Forked from hanbing0715/pySrun4k

   A Srun4k portal system 3rd Python client.

   Python