LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-12-21 11:53:41 +01:00
Code Issues Releases Wiki Activity

Fixed some files in examples

Browse Source 
Scripts 'run_plovasp.sh' have been replaced by a template in which
the path must be set by the user.
Also, .gitignore has been added to example 'lunio3'.
This commit is contained in:
Oleg E. Peil 2015-12-01 13:24:58 +01:00
parent 22da0dae4a
commit e35c6fd5c0
3 changed files with 14 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

11
python/converters/plovasp/examples/lunio3/.gitignore vendored Normal file
View File

@ -0,0 +1,11 @@
*
!.gitignore
!INCAR
!POSCAR
!POTCAR
!KPOINTS
!plo.cfg
!run_plovasp.sh
!conv_example.py
!rotations
!rot_dz2_dx2

4
python/converters/plovasp/examples/lunio3/run_plovasp.sh
View File

@ -1,2 +1,2 @@
PLOVASP_PATH=/path/to/triqs1.2/applications/dft_tools/dev_src
PYTHONPATH=$PLOVASP_PATH/python:$PLOVASP_PATH/c:$PYTHONPATH pytriqs $PLOVASP_PATH/python/vasp/main.py $@
PLOVASP_PATH=/path/to/triqs1.2/applications/dft_tools/src
PYTHONPATH=$PLOVASP_PATH/python:$PLOVASP_PATH/c:$PYTHONPATH pytriqs $PLOVASP_PATH/python/converters/plovasp/main.py $@

2
python/converters/plovasp/examples/srvo3/run_plovasp.sh
View File

@ -1,2 +1,2 @@
PLOVASP_PATH=$HOME/Codes/triqs/triqs1.2/applications/dft_tools/dev_src
PLOVASP_PATH=/path/to/triqs1.2/applications/dft_tools/src
PYTHONPATH=$PLOVASP_PATH/python:$PLOVASP_PATH/c:$PYTHONPATH pytriqs $PLOVASP_PATH/python/converters/plovasp/main.py $@