Matgen toolkit

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Revision as of 14:19, 11 February 2020 by Mariadb (Talk | contribs) (Installation)

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Installation

Environment

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

Compile

  • compile all files - `make` or `make all`
  • compile specified function(`rm_mof_solvents/find_space_groups/in_cell/ICSD_classify/CSD_classify/format`) - `make func`
  • delete executable - `make clean`

Configuration

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