Reshuffled files after repository merge

The files from the original vasp-interface repository are reshuffled in accord with the directory structure of dft_tools. Some of the directories, such as 'test' (unit tests for the interface), 'examples' (simple examples for the development purposes) are temporarily placed into 'python/vasp' directory to avoid confusion with integral tests and examples of dft_tools.
2024-11-06 22:23:52 +01:00 · 2015-10-13 11:27:55 +02:00 · 2015-10-13 11:27:55 +02:00 · 819fc987f0
commit 819fc987f0
parent 77a169d242
112 changed files with 0 additions and 0 deletions
--- a/python/converters/vasp/c/plocar_io/.gitignore
+++ b/python/converters/vasp/c/plocar_io/.gitignore
--- a/python/converters/vasp/c/plocar_io/init.py
+++ b/python/converters/vasp/c/plocar_io/init.py
--- a/python/converters/vasp/c/plocar_io/c_plocar_io.c
+++ b/python/converters/vasp/c/plocar_io/c_plocar_io.c
--- a/python/converters/vasp/c/plocar_io/makefile.darwin
+++ b/python/converters/vasp/c/plocar_io/makefile.darwin
--- a/python/converters/vasp/c/plocar_io/makefile.linux
+++ b/python/converters/vasp/c/plocar_io/makefile.linux
--- a/python/converters/vasp/c/plocar_io/setup.py
+++ b/python/converters/vasp/c/plocar_io/setup.py
--- a/python/converters/vasp/doc/Makefile
+++ b/python/converters/vasp/doc/Makefile
--- a/python/converters/vasp/doc/build/.gitignore
+++ b/python/converters/vasp/doc/build/.gitignore
--- a/python/converters/vasp/doc/source/adv_example.cfg
+++ b/python/converters/vasp/doc/source/adv_example.cfg
--- a/python/converters/vasp/doc/source/code_struct.rst
+++ b/python/converters/vasp/doc/source/code_struct.rst
--- a/python/converters/vasp/doc/source/conf.py
+++ b/python/converters/vasp/doc/source/conf.py
--- a/python/converters/vasp/doc/source/config.rst
+++ b/python/converters/vasp/doc/source/config.rst
--- a/python/converters/vasp/doc/source/converter.rst
+++ b/python/converters/vasp/doc/source/converter.rst
--- a/python/converters/vasp/doc/source/example.cfg
+++ b/python/converters/vasp/doc/source/example.cfg
--- a/python/converters/vasp/doc/source/index.rst
+++ b/python/converters/vasp/doc/source/index.rst
--- a/python/converters/vasp/notes.txt
+++ b/python/converters/vasp/notes.txt
--- a/python/converters/vasp/doc/source/plotools.rst
+++ b/python/converters/vasp/doc/source/plotools.rst
--- a/python/converters/vasp/doc/source/users_guide.rst
+++ b/python/converters/vasp/doc/source/users_guide.rst
--- a/python/converters/vasp/doc/source/vaspio.rst
+++ b/python/converters/vasp/doc/source/vaspio.rst
--- a/python/converters/vasp/python/.gitignore
+++ b/python/converters/vasp/python/.gitignore
--- a/python/converters/vasp/python/elstruct.py
+++ b/python/converters/vasp/python/elstruct.py
--- a/python/converters/vasp/examples/simple/.gitignore
+++ b/python/converters/vasp/examples/simple/.gitignore
--- a/python/converters/vasp/examples/simple/DOSCAR
+++ b/python/converters/vasp/examples/simple/DOSCAR
--- a/python/converters/vasp/examples/simple/EIGENVAL
+++ b/python/converters/vasp/examples/simple/EIGENVAL
--- a/python/converters/vasp/examples/simple/IBZKPT
+++ b/python/converters/vasp/examples/simple/IBZKPT
--- a/python/converters/vasp/examples/simple/OUTCAR
+++ b/python/converters/vasp/examples/simple/OUTCAR
--- a/python/converters/vasp/examples/simple/PLOCAR
+++ b/python/converters/vasp/examples/simple/PLOCAR
--- a/python/converters/vasp/examples/simple/POSCAR
+++ b/python/converters/vasp/examples/simple/POSCAR
--- a/python/converters/vasp/examples/simple/conv_example.py
+++ b/python/converters/vasp/examples/simple/conv_example.py
--- a/python/converters/vasp/examples/simple/example.cfg
+++ b/python/converters/vasp/examples/simple/example.cfg
--- a/python/converters/vasp/examples/simple/run_build.sh
+++ b/python/converters/vasp/examples/simple/run_build.sh
--- a/python/converters/vasp/python/inpconf.py
+++ b/python/converters/vasp/python/inpconf.py
--- a/python/converters/vasp/python/main.py
+++ b/python/converters/vasp/python/main.py
--- a/python/converters/vasp/python/plotools.py
+++ b/python/converters/vasp/python/plotools.py
--- a/python/converters/vasp/test/.gitignore
+++ b/python/converters/vasp/test/.gitignore
--- a/python/converters/vasp/test/_inpconf/.gitignore
+++ b/python/converters/vasp/test/_inpconf/.gitignore
--- a/python/converters/vasp/test/_inpconf/init.py
+++ b/python/converters/vasp/test/_inpconf/init.py
--- a/python/converters/vasp/test/_inpconf/arraytest.py
+++ b/python/converters/vasp/test/_inpconf/arraytest.py
--- a/python/converters/vasp/test/_inpconf/example.cfg
+++ b/python/converters/vasp/test/_inpconf/example.cfg
--- a/python/converters/vasp/test/_inpconf/example_nogroup.cfg
+++ b/python/converters/vasp/test/_inpconf/example_nogroup.cfg
--- a/python/converters/vasp/test/_inpconf/input_test_1.cfg
+++ b/python/converters/vasp/test/_inpconf/input_test_1.cfg
--- a/python/converters/vasp/test/_inpconf/input_test_2.cfg
+++ b/python/converters/vasp/test/_inpconf/input_test_2.cfg
--- a/python/converters/vasp/test/_inpconf/input_test_3.cfg
+++ b/python/converters/vasp/test/_inpconf/input_test_3.cfg
--- a/python/converters/vasp/test/_inpconf/input_test_4.cfg
+++ b/python/converters/vasp/test/_inpconf/input_test_4.cfg
--- a/python/converters/vasp/test/_inpconf/parse_groups_1.cfg
+++ b/python/converters/vasp/test/_inpconf/parse_groups_1.cfg
--- a/python/converters/vasp/test/_inpconf/parse_shells_1.cfg
+++ b/python/converters/vasp/test/_inpconf/parse_shells_1.cfg
--- a/python/converters/vasp/test/_inpconf/parse_shells_2.cfg
+++ b/python/converters/vasp/test/_inpconf/parse_shells_2.cfg
--- a/python/converters/vasp/test/_inpconf/parse_shells_3.cfg
+++ b/python/converters/vasp/test/_inpconf/parse_shells_3.cfg
--- a/python/converters/vasp/test/_inpconf/parse_shells_4.cfg
+++ b/python/converters/vasp/test/_inpconf/parse_shells_4.cfg
--- a/python/converters/vasp/test/_inpconf/runtest.sh
+++ b/python/converters/vasp/test/_inpconf/runtest.sh
--- a/python/converters/vasp/test/_inpconf/test1.cfg
+++ b/python/converters/vasp/test/_inpconf/test1.cfg
--- a/python/converters/vasp/test/_inpconf/test_general.py
+++ b/python/converters/vasp/test/_inpconf/test_general.py
--- a/python/converters/vasp/test/_inpconf/test_groups.py
+++ b/python/converters/vasp/test/_inpconf/test_groups.py
--- a/python/converters/vasp/test/_inpconf/test_inpconf.py
+++ b/python/converters/vasp/test/_inpconf/test_inpconf.py
--- a/python/converters/vasp/test/_inpconf/test_input.py
+++ b/python/converters/vasp/test/_inpconf/test_input.py
--- a/python/converters/vasp/test/_inpconf/test_parameter_set.py
+++ b/python/converters/vasp/test/_inpconf/test_parameter_set.py
--- a/python/converters/vasp/test/_inpconf/test_shells.py
+++ b/python/converters/vasp/test/_inpconf/test_shells.py
--- a/python/converters/vasp/test/_inpconf/test_special_parsers.py
+++ b/python/converters/vasp/test/_inpconf/test_special_parsers.py
--- a/python/converters/vasp/test/_plocar_io/.gitignore
+++ b/python/converters/vasp/test/_plocar_io/.gitignore
--- a/python/converters/vasp/test/_plocar_io/PLOCAR.example
+++ b/python/converters/vasp/test/_plocar_io/PLOCAR.example
--- a/python/converters/vasp/test/_plocar_io/PLOCAR.example.out
+++ b/python/converters/vasp/test/_plocar_io/PLOCAR.example.out
--- a/python/converters/vasp/test/_plocar_io/PLOCAR.noprec
+++ b/python/converters/vasp/test/_plocar_io/PLOCAR.noprec
--- a/python/converters/vasp/test/_plocar_io/PLOCAR.prec8
+++ b/python/converters/vasp/test/_plocar_io/PLOCAR.prec8
--- a/python/converters/vasp/test/_plocar_io/PLOCAR.prec8.out
+++ b/python/converters/vasp/test/_plocar_io/PLOCAR.prec8.out
--- a/python/converters/vasp/test/_plocar_io/PLOCAR.trunc
+++ b/python/converters/vasp/test/_plocar_io/PLOCAR.trunc
--- a/python/converters/vasp/test/_plocar_io/mytest.py
+++ b/python/converters/vasp/test/_plocar_io/mytest.py
--- a/python/converters/vasp/test/_plocar_io/runtest.sh
+++ b/python/converters/vasp/test/_plocar_io/runtest.sh
--- a/python/converters/vasp/test/_plocar_io/test_fileio.py
+++ b/python/converters/vasp/test/_plocar_io/test_fileio.py
--- a/python/converters/vasp/test/_plocar_io/test_plocar_io.py
+++ b/python/converters/vasp/test/_plocar_io/test_plocar_io.py
--- a/python/converters/vasp/test/_plotools/.gitignore
+++ b/python/converters/vasp/test/_plotools/.gitignore
--- a/python/converters/vasp/test/_plotools/DOSCAR
+++ b/python/converters/vasp/test/_plotools/DOSCAR
--- a/python/converters/vasp/test/_plotools/EIGENVAL
+++ b/python/converters/vasp/test/_plotools/EIGENVAL
--- a/python/converters/vasp/test/_plotools/IBZKPT
+++ b/python/converters/vasp/test/_plotools/IBZKPT
--- a/python/converters/vasp/test/_plotools/OUTCAR
+++ b/python/converters/vasp/test/_plotools/OUTCAR
--- a/python/converters/vasp/test/_plotools/PLOCAR
+++ b/python/converters/vasp/test/_plotools/PLOCAR
--- a/python/converters/vasp/test/_plotools/POSCAR
+++ b/python/converters/vasp/test/_plotools/POSCAR
--- a/python/converters/vasp/test/_plotools/POSCAR.complex
+++ b/python/converters/vasp/test/_plotools/POSCAR.complex
--- a/python/converters/vasp/test/_plotools/densmat.out
+++ b/python/converters/vasp/test/_plotools/densmat.out
--- a/python/converters/vasp/test/_plotools/example.cfg
+++ b/python/converters/vasp/test/_plotools/example.cfg
--- a/python/converters/vasp/test/_plotools/mytest.py
+++ b/python/converters/vasp/test/_plotools/mytest.py
--- a/python/converters/vasp/test/_plotools/projgroups.out
+++ b/python/converters/vasp/test/_plotools/projgroups.out
--- a/python/converters/vasp/test/_plotools/projortho.out
+++ b/python/converters/vasp/test/_plotools/projortho.out
--- a/python/converters/vasp/test/_plotools/projshells.out
+++ b/python/converters/vasp/test/_plotools/projshells.out
--- a/python/converters/vasp/test/_plotools/runtest.sh
+++ b/python/converters/vasp/test/_plotools/runtest.sh
--- a/python/converters/vasp/test/_plotools/test_consistency.py
+++ b/python/converters/vasp/test/_plotools/test_consistency.py
--- a/python/converters/vasp/test/_plotools/test_plotools.py
+++ b/python/converters/vasp/test/_plotools/test_plotools.py
--- a/python/converters/vasp/test/_plotools/test_projgroups.py
+++ b/python/converters/vasp/test/_plotools/test_projgroups.py
--- a/python/converters/vasp/test/_plotools/test_projshells.py
+++ b/python/converters/vasp/test/_plotools/test_projshells.py
--- a/python/converters/vasp/test/_plotools/test_select_bands.py
+++ b/python/converters/vasp/test/_plotools/test_select_bands.py
--- a/python/converters/vasp/test/_plotools/wrong_shell.cfg
+++ b/python/converters/vasp/test/_plotools/wrong_shell.cfg
--- a/python/converters/vasp/test/_vaspio/.gitignore
+++ b/python/converters/vasp/test/_vaspio/.gitignore
--- a/python/converters/vasp/test/_vaspio/DOSCAR.example
+++ b/python/converters/vasp/test/_vaspio/DOSCAR.example
--- a/python/converters/vasp/test/_vaspio/EIGENVAL.example
+++ b/python/converters/vasp/test/_vaspio/EIGENVAL.example
--- a/python/converters/vasp/test/_vaspio/EIGENVAL.example.out
+++ b/python/converters/vasp/test/_vaspio/EIGENVAL.example.out
--- a/python/converters/vasp/test/_vaspio/IBZKPT.example
+++ b/python/converters/vasp/test/_vaspio/IBZKPT.example
--- a/python/converters/vasp/test/_vaspio/IBZKPT.example.out
+++ b/python/converters/vasp/test/_vaspio/IBZKPT.example.out
--- a/python/converters/vasp/test/_vaspio/IBZKPT.notet
+++ b/python/converters/vasp/test/_vaspio/IBZKPT.notet
--- a/python/converters/vasp/test/_vaspio/IBZKPT.notet.out
+++ b/python/converters/vasp/test/_vaspio/IBZKPT.notet.out
--- a/python/converters/vasp/test/_vaspio/POSCAR.complex
+++ b/python/converters/vasp/test/_vaspio/POSCAR.complex
--- a/python/converters/vasp/test/_vaspio/POSCAR.example
+++ b/python/converters/vasp/test/_vaspio/POSCAR.example
--- a/Show More
+++ b/Show More