Difference between revisions of "Matgen toolkit"
From wiki
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=== Configuration === | === Configuration === | ||
| − | # The program | + | # The program "Find Space Groups" is based on [https://github.com/atztogo/spglib (spglib)]. To use this function, you need to install and configure spglib. |
<pre> | <pre> | ||
$ git clone https://github.com/atztogo/spglib.git | $ git clone https://github.com/atztogo/spglib.git | ||
Revision as of 14:32, 11 February 2020
Installation
Environment
- Linux
- GCC-5.4.0, need to support C ++ 11 and above
- 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
- 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
