Matgen toolkit

Installation

Environment

1. Linux
2. GCC-5.4.0, need to support C ++ 11 and above
3. Make

Compile

1. compile all files

make or make all

1. compile specified function(rm_mof_solvents/find_space_groups/in_cell/ICSD_classify/CSD_classify/format)

make func

1. delete executable

make clean 

Configuration

1. The program "Find Space Groups" is based on (spglib). To use this function, you need to install and configure spglib.

  $ git clone https://github.com/atztogo/spglib.git
  $ cd spglib
  $ mkdir _build
  $ cd _build
  $ cmake ..
  $ make
  $ make install