Difference between revisions of "Matgen toolkit"
From wiki
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| − | + | == Installation == | |
| − | + | === Environment === | |
| − | + | ||
| − | + | ||
* Linux | * Linux | ||
* GCC-5.4.0, need to support C ++ 11 and above | * GCC-5.4.0, need to support C ++ 11 and above | ||
* Make | * Make | ||
| − | + | === Compile === | |
* compile all files - `make` or `make all` | * 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` | * compile specified function(`rm_mof_solvents/find_space_groups/in_cell/ICSD_classify/CSD_classify/format`) - `make func` | ||
* delete executable - `make clean` | * 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. | * 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 | ```shell | ||
Revision as of 14:16, 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](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 ```
