Difference between revisions of "Matgen toolkit"
From wiki
(→Compile) |
|||
| Line 6: | Line 6: | ||
=== Compile === | === Compile === | ||
| − | # compile all files | + | # compile all files |
| + | <pre> | ||
| + | make or make all | ||
| + | </pre> | ||
# compile specified function(rm_mof_solvents/find_space_groups/in_cell/ICSD_classify/CSD_classify/format) | # compile specified function(rm_mof_solvents/find_space_groups/in_cell/ICSD_classify/CSD_classify/format) | ||
<pre> | <pre> | ||
Revision as of 14:32, 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
