Difference between revisions of "Matgen toolkit"
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=== Compile === | === 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 === | === 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 | ```shell | ||
$ git clone https://github.com/atztogo/spglib.git | $ git clone https://github.com/atztogo/spglib.git | ||
Revision as of 14:20, 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 ```
