Difference between revisions of "Matgen toolkit"
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=== 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. | # 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. | ||
| − | + | <pre> | |
$ git clone https://github.com/atztogo/spglib.git | $ git clone https://github.com/atztogo/spglib.git | ||
$ cd spglib | $ cd spglib | ||
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$ make | $ make | ||
$ make install | $ make install | ||
| − | + | </pre> | |
Revision as of 14:29, 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.
$ git clone https://github.com/atztogo/spglib.git $ cd spglib $ mkdir _build $ cd _build $ cmake .. $ make $ make install
