Matgen toolkit

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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`
  2. 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
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