- 追加された行はこの色です。
- 削除された行はこの色です。
running
* Running the TiO2 example [#p04fc2aa]
Having compiled AENET executables (*.x), let us run them by using the example provided at the AENET web page (see the [[download>http://ann.atomistic.net/download/]] section).
In the AENET directory (~/AENET), create the example directory as
$ cd ~/AENET
$ mkdir examples
and change the directory
$ cd examples
Download the example file
$ wget http://ann.atomistic.net/files/aenet-example-01-TiO2.tar.bz2
and expand
$ tar jxvf aenet-example-01-TiO2.tar.bz2
to get
aenet-example-01-TiO2/
In this directory, we can find the following directories:
01-generate/ 02-train/ 03-predict/ 04-MD-ASE/ LICENSE README xsf/