Difference between revisions of "Matgen toolkit"

Revision as of 14:15, 11 February 2020

1. 1. Installation ##

1. 1. 1. Environment ###

• Linux
• GCC-5.4.0, need to support C ++ 11 and above
• Make

1. 1. 1. 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`

1. 1. 1. Configuration ###

• The program `Find Space Groups` is based on [spglib](https://github.com/atztogo/spglib). To use this function, you need to install and configure spglib.

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