From e35c6fd5c0d8032df40b104e90dc4733352ed2dd Mon Sep 17 00:00:00 2001 From: "Oleg E. Peil" Date: Tue, 1 Dec 2015 13:24:58 +0100 Subject: [PATCH] Fixed some files in examples Scripts 'run_plovasp.sh' have been replaced by a template in which the path must be set by the user.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'. --- python/converters/plovasp/examples/lunio3/.gitignore | 11 +++++++++++ .../converters/plovasp/examples/lunio3/run_plovasp.sh | 4 ++-- .../converters/plovasp/examples/srvo3/run_plovasp.sh | 2 +- 3 files changed, 14 insertions(+), 3 deletions(-) create mode 100644 python/converters/plovasp/examples/lunio3/.gitignore diff --git a/python/converters/plovasp/examples/lunio3/.gitignore b/python/converters/plovasp/examples/lunio3/.gitignore new file mode 100644 index 00000000..092344ed --- /dev/null +++ b/python/converters/plovasp/examples/lunio3/.gitignore @@ -0,0 +1,11 @@ +* +!.gitignore +!INCAR +!POSCAR +!POTCAR +!KPOINTS +!plo.cfg +!run_plovasp.sh +!conv_example.py +!rotations +!rot_dz2_dx2 diff --git a/python/converters/plovasp/examples/lunio3/run_plovasp.sh b/python/converters/plovasp/examples/lunio3/run_plovasp.sh index e16800e3..2e062ec0 100755 --- a/python/converters/plovasp/examples/lunio3/run_plovasp.sh +++ b/python/converters/plovasp/examples/lunio3/run_plovasp.sh @@ -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 $@ diff --git a/python/converters/plovasp/examples/srvo3/run_plovasp.sh b/python/converters/plovasp/examples/srvo3/run_plovasp.sh index e35a6bbb..2e062ec0 100755 --- a/python/converters/plovasp/examples/srvo3/run_plovasp.sh +++ b/python/converters/plovasp/examples/srvo3/run_plovasp.sh @@ -1,2 +1,2 @@ -PLOVASP_PATH=$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 $@