Difference between revisions of "Matgen toolkit"
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== Installation == | == Installation == | ||
=== Environment === | === Environment === | ||
| − | + | 1. Linux | |
| − | + | 2. GCC-5.4.0, need to support C ++ 11 and above | |
| − | + | 3. Make | |
=== Compile === | === Compile === | ||
Revision as of 14:19, 11 February 2020
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
- 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 ```
