Difference between revisions of "Matgen toolkit"
From wiki
| Line 11: | Line 11: | ||
make func | make func | ||
</pre> | </pre> | ||
| − | # delete executable | + | # delete executable |
| + | <pre> | ||
| + | make clean | ||
| + | </pre> | ||
=== Configuration === | === Configuration === | ||
Revision as of 14:31, 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
