diff --git a/python/vasp/.gitignore b/python/converters/plovasp/.gitignore similarity index 100% rename from python/vasp/.gitignore rename to python/converters/plovasp/.gitignore diff --git a/python/vasp/elstruct.py b/python/converters/plovasp/elstruct.py similarity index 100% rename from python/vasp/elstruct.py rename to python/converters/plovasp/elstruct.py diff --git a/python/vasp/examples/lunio3/INCAR b/python/converters/plovasp/examples/lunio3/INCAR similarity index 100% rename from python/vasp/examples/lunio3/INCAR rename to python/converters/plovasp/examples/lunio3/INCAR diff --git a/python/vasp/examples/lunio3/KPOINTS b/python/converters/plovasp/examples/lunio3/KPOINTS similarity index 100% rename from python/vasp/examples/lunio3/KPOINTS rename to python/converters/plovasp/examples/lunio3/KPOINTS diff --git a/python/vasp/examples/lunio3/POSCAR b/python/converters/plovasp/examples/lunio3/POSCAR similarity index 100% rename from python/vasp/examples/lunio3/POSCAR rename to 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100% rename from python/vasp/examples/simple/run_build.sh rename to python/converters/plovasp/examples/simple/run_build.sh diff --git a/python/vasp/inpconf.py b/python/converters/plovasp/inpconf.py similarity index 100% rename from python/vasp/inpconf.py rename to python/converters/plovasp/inpconf.py diff --git a/python/vasp/main.py b/python/converters/plovasp/main.py similarity index 100% rename from python/vasp/main.py rename to python/converters/plovasp/main.py diff --git a/python/vasp/plotools.py b/python/converters/plovasp/plotools.py similarity index 99% rename from python/vasp/plotools.py rename to python/converters/plovasp/plotools.py index e110d7c0..718b6c0a 100644 --- a/python/vasp/plotools.py +++ b/python/converters/plovasp/plotools.py @@ -102,8 +102,8 @@ def generate_plo(conf_pars, el_struct): nimp = 0.0 for io, dm in enumerate(dm_all[0]): print " Site %i"%(io + 1) - print dm - ndm = dm.trace() + print 2 * dm + ndm = 2 * dm.trace() nimp += ndm print " trace: ", ndm print 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