From 819fc987f0ab2871c1fa9490fe06bc0199ab85a5 Mon Sep 17 00:00:00 2001 From: "Oleg E. Peil" Date: Tue, 13 Oct 2015 11:27:55 +0200 Subject: [PATCH] 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. --- .../converters/vasp/c => c}/plocar_io/.gitignore | 0 .../converters/vasp/c => c}/plocar_io/__init__.py | 0 .../converters/vasp/c => c}/plocar_io/c_plocar_io.c | 0 .../vasp/c => c}/plocar_io/makefile.darwin | 0 .../vasp/c => c}/plocar_io/makefile.linux | 0 {python/converters/vasp/c => c}/plocar_io/setup.py | 0 {python/converters/vasp/doc => doc/vasp}/Makefile | 0 .../vasp/doc => doc/vasp}/build/.gitignore | 0 .../vasp/doc => doc/vasp}/source/adv_example.cfg | 0 .../vasp/doc => doc/vasp}/source/code_struct.rst | 0 .../converters/vasp/doc => doc/vasp}/source/conf.py | 0 .../vasp/doc => doc/vasp}/source/config.rst | 0 .../vasp/doc => doc/vasp}/source/converter.rst | 0 .../vasp/doc => doc/vasp}/source/example.cfg | 0 .../vasp/doc => doc/vasp}/source/index.rst | 0 .../converters/vasp => doc/vasp/source}/notes.txt | 0 .../vasp/doc => doc/vasp}/source/plotools.rst | 0 .../vasp/doc => doc/vasp}/source/users_guide.rst | 0 .../vasp/doc => doc/vasp}/source/vaspio.rst | 0 python/{converters/vasp/python => vasp}/.gitignore | 0 python/{converters/vasp/python => vasp}/elstruct.py | 0 .../vasp/examples/simple/.gitignore | 0 python/{converters => }/vasp/examples/simple/DOSCAR | 0 .../{converters => }/vasp/examples/simple/EIGENVAL | 0 python/{converters => }/vasp/examples/simple/IBZKPT | 0 python/{converters => }/vasp/examples/simple/OUTCAR | 0 python/{converters => }/vasp/examples/simple/PLOCAR | Bin python/{converters => }/vasp/examples/simple/POSCAR | 0 .../vasp/examples/simple/conv_example.py | 0 .../vasp/examples/simple/example.cfg | 0 .../vasp/examples/simple/run_build.sh | 0 python/{converters/vasp/python => vasp}/inpconf.py | 0 python/{converters/vasp/python => vasp}/main.py | 0 python/{converters/vasp/python => vasp}/plotools.py | 0 python/{converters => }/vasp/test/.gitignore | 0 .../{converters => }/vasp/test/_inpconf/.gitignore | 0 .../{converters => }/vasp/test/_inpconf/__init__.py | 0 .../vasp/test/_inpconf/arraytest.py | 0 .../{converters => }/vasp/test/_inpconf/example.cfg | 0 .../vasp/test/_inpconf/example_nogroup.cfg | 0 .../vasp/test/_inpconf/input_test_1.cfg | 0 .../vasp/test/_inpconf/input_test_2.cfg | 0 .../vasp/test/_inpconf/input_test_3.cfg | 0 .../vasp/test/_inpconf/input_test_4.cfg | 0 .../vasp/test/_inpconf/parse_groups_1.cfg | 0 .../vasp/test/_inpconf/parse_shells_1.cfg | 0 .../vasp/test/_inpconf/parse_shells_2.cfg | 0 .../vasp/test/_inpconf/parse_shells_3.cfg | 0 .../vasp/test/_inpconf/parse_shells_4.cfg | 0 .../{converters => }/vasp/test/_inpconf/runtest.sh | 0 .../{converters => }/vasp/test/_inpconf/test1.cfg | 0 .../vasp/test/_inpconf/test_general.py | 0 .../vasp/test/_inpconf/test_groups.py | 0 .../vasp/test/_inpconf/test_inpconf.py | 0 .../vasp/test/_inpconf/test_input.py | 0 .../vasp/test/_inpconf/test_parameter_set.py | 0 .../vasp/test/_inpconf/test_shells.py | 0 .../vasp/test/_inpconf/test_special_parsers.py | 0 .../vasp/test/_plocar_io/.gitignore | 0 .../vasp/test/_plocar_io/PLOCAR.example | Bin .../vasp/test/_plocar_io/PLOCAR.example.out | 0 .../vasp/test/_plocar_io/PLOCAR.noprec | 0 .../vasp/test/_plocar_io/PLOCAR.prec8 | Bin .../vasp/test/_plocar_io/PLOCAR.prec8.out | 0 .../vasp/test/_plocar_io/PLOCAR.trunc | Bin .../{converters => }/vasp/test/_plocar_io/mytest.py | 0 .../vasp/test/_plocar_io/runtest.sh | 0 .../vasp/test/_plocar_io/test_fileio.py | 0 .../vasp/test/_plocar_io/test_plocar_io.py | 0 .../{converters => }/vasp/test/_plotools/.gitignore | 0 python/{converters => }/vasp/test/_plotools/DOSCAR | 0 .../{converters => }/vasp/test/_plotools/EIGENVAL | 0 python/{converters => }/vasp/test/_plotools/IBZKPT | 0 python/{converters => }/vasp/test/_plotools/OUTCAR | 0 python/{converters => }/vasp/test/_plotools/PLOCAR | Bin python/{converters => }/vasp/test/_plotools/POSCAR | 0 .../vasp/test/_plotools/POSCAR.complex | 0 .../vasp/test/_plotools/densmat.out | 0 .../vasp/test/_plotools/example.cfg | 0 .../{converters => }/vasp/test/_plotools/mytest.py | 0 .../vasp/test/_plotools/projgroups.out | 0 .../vasp/test/_plotools/projortho.out | 0 .../vasp/test/_plotools/projshells.out | 0 .../{converters => }/vasp/test/_plotools/runtest.sh | 0 .../vasp/test/_plotools/test_consistency.py | 0 .../vasp/test/_plotools/test_plotools.py | 0 .../vasp/test/_plotools/test_projgroups.py | 0 .../vasp/test/_plotools/test_projshells.py | 0 .../vasp/test/_plotools/test_select_bands.py | 0 .../vasp/test/_plotools/wrong_shell.cfg | 0 .../{converters => }/vasp/test/_vaspio/.gitignore | 0 .../vasp/test/_vaspio/DOSCAR.example | 0 .../vasp/test/_vaspio/EIGENVAL.example | 0 .../vasp/test/_vaspio/EIGENVAL.example.out | 0 .../vasp/test/_vaspio/IBZKPT.example | 0 .../vasp/test/_vaspio/IBZKPT.example.out | 0 .../{converters => }/vasp/test/_vaspio/IBZKPT.notet | 0 .../vasp/test/_vaspio/IBZKPT.notet.out | 0 .../vasp/test/_vaspio/POSCAR.complex | 0 .../vasp/test/_vaspio/POSCAR.example | 0 .../vasp/test/_vaspio/POSCAR.example.out | 0 python/{converters => }/vasp/test/_vaspio/mytest.py | 0 .../{converters => }/vasp/test/_vaspio/runtest.sh | 0 .../vasp/test/_vaspio/test_doscar.py | 0 .../vasp/test/_vaspio/test_eigenval.py | 0 .../vasp/test/_vaspio/test_kpoints.py | 0 .../vasp/test/_vaspio/test_poscar.py | 0 .../vasp/test/_vaspio/test_vaspio.py | 0 python/{converters => }/vasp/test/run_all.sh | 0 python/{converters => }/vasp/test/test_all.py | 0 .../vasp/python => vasp}/vasp_converter.py | 0 python/{converters/vasp/python => vasp}/vaspio.py | 0 112 files changed, 0 insertions(+), 0 deletions(-) rename {python/converters/vasp/c => c}/plocar_io/.gitignore (100%) rename {python/converters/vasp/c => c}/plocar_io/__init__.py (100%) rename {python/converters/vasp/c => c}/plocar_io/c_plocar_io.c (100%) rename {python/converters/vasp/c => c}/plocar_io/makefile.darwin (100%) rename {python/converters/vasp/c => c}/plocar_io/makefile.linux (100%) rename {python/converters/vasp/c => c}/plocar_io/setup.py (100%) rename {python/converters/vasp/doc => doc/vasp}/Makefile (100%) rename {python/converters/vasp/doc => doc/vasp}/build/.gitignore (100%) rename {python/converters/vasp/doc => doc/vasp}/source/adv_example.cfg (100%) rename {python/converters/vasp/doc => doc/vasp}/source/code_struct.rst (100%) rename {python/converters/vasp/doc => doc/vasp}/source/conf.py (100%) rename {python/converters/vasp/doc => doc/vasp}/source/config.rst (100%) rename {python/converters/vasp/doc => doc/vasp}/source/converter.rst (100%) rename {python/converters/vasp/doc => doc/vasp}/source/example.cfg (100%) rename {python/converters/vasp/doc => doc/vasp}/source/index.rst (100%) rename {python/converters/vasp => doc/vasp/source}/notes.txt (100%) rename {python/converters/vasp/doc => doc/vasp}/source/plotools.rst (100%) rename {python/converters/vasp/doc => doc/vasp}/source/users_guide.rst (100%) rename {python/converters/vasp/doc => doc/vasp}/source/vaspio.rst (100%) rename python/{converters/vasp/python => vasp}/.gitignore (100%) rename python/{converters/vasp/python => vasp}/elstruct.py (100%) rename python/{converters => }/vasp/examples/simple/.gitignore (100%) rename python/{converters => }/vasp/examples/simple/DOSCAR (100%) rename python/{converters => }/vasp/examples/simple/EIGENVAL (100%) rename python/{converters => }/vasp/examples/simple/IBZKPT (100%) rename python/{converters => }/vasp/examples/simple/OUTCAR (100%) rename python/{converters => }/vasp/examples/simple/PLOCAR (100%) rename python/{converters => }/vasp/examples/simple/POSCAR (100%) rename python/{converters => }/vasp/examples/simple/conv_example.py (100%) rename python/{converters => }/vasp/examples/simple/example.cfg (100%) rename python/{converters => }/vasp/examples/simple/run_build.sh (100%) rename python/{converters/vasp/python => vasp}/inpconf.py (100%) rename python/{converters/vasp/python => vasp}/main.py (100%) rename python/{converters/vasp/python => vasp}/plotools.py (100%) rename python/{converters => }/vasp/test/.gitignore (100%) rename python/{converters => }/vasp/test/_inpconf/.gitignore (100%) rename python/{converters => }/vasp/test/_inpconf/__init__.py (100%) rename python/{converters => }/vasp/test/_inpconf/arraytest.py (100%) rename python/{converters => }/vasp/test/_inpconf/example.cfg (100%) rename python/{converters => }/vasp/test/_inpconf/example_nogroup.cfg (100%) rename python/{converters => }/vasp/test/_inpconf/input_test_1.cfg (100%) rename python/{converters => }/vasp/test/_inpconf/input_test_2.cfg (100%) rename python/{converters => }/vasp/test/_inpconf/input_test_3.cfg (100%) rename python/{converters => }/vasp/test/_inpconf/input_test_4.cfg (100%) rename python/{converters => }/vasp/test/_inpconf/parse_groups_1.cfg (100%) rename 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c/plocar_io/.gitignore diff --git a/python/converters/vasp/c/plocar_io/__init__.py b/c/plocar_io/__init__.py similarity index 100% rename from python/converters/vasp/c/plocar_io/__init__.py rename to c/plocar_io/__init__.py diff --git a/python/converters/vasp/c/plocar_io/c_plocar_io.c b/c/plocar_io/c_plocar_io.c similarity index 100% rename from python/converters/vasp/c/plocar_io/c_plocar_io.c rename to c/plocar_io/c_plocar_io.c diff --git a/python/converters/vasp/c/plocar_io/makefile.darwin b/c/plocar_io/makefile.darwin similarity index 100% rename from python/converters/vasp/c/plocar_io/makefile.darwin rename to c/plocar_io/makefile.darwin diff --git a/python/converters/vasp/c/plocar_io/makefile.linux b/c/plocar_io/makefile.linux similarity index 100% rename from python/converters/vasp/c/plocar_io/makefile.linux rename to c/plocar_io/makefile.linux diff --git a/python/converters/vasp/c/plocar_io/setup.py b/c/plocar_io/setup.py similarity index 100% rename from python/converters/vasp/c/plocar_io/setup.py rename to c/plocar_io/setup.py diff --git a/python/converters/vasp/doc/Makefile b/doc/vasp/Makefile similarity index 100% rename from python/converters/vasp/doc/Makefile rename to doc/vasp/Makefile diff --git a/python/converters/vasp/doc/build/.gitignore b/doc/vasp/build/.gitignore similarity index 100% rename from python/converters/vasp/doc/build/.gitignore rename to doc/vasp/build/.gitignore diff --git a/python/converters/vasp/doc/source/adv_example.cfg b/doc/vasp/source/adv_example.cfg similarity index 100% rename from python/converters/vasp/doc/source/adv_example.cfg rename to doc/vasp/source/adv_example.cfg diff --git a/python/converters/vasp/doc/source/code_struct.rst b/doc/vasp/source/code_struct.rst similarity index 100% rename from python/converters/vasp/doc/source/code_struct.rst rename to doc/vasp/source/code_struct.rst diff --git a/python/converters/vasp/doc/source/conf.py b/doc/vasp/source/conf.py similarity index 100% rename from python/converters/vasp/doc/source/conf.py rename to doc/vasp/source/conf.py diff --git a/python/converters/vasp/doc/source/config.rst b/doc/vasp/source/config.rst similarity index 100% rename from python/converters/vasp/doc/source/config.rst rename to doc/vasp/source/config.rst diff --git a/python/converters/vasp/doc/source/converter.rst b/doc/vasp/source/converter.rst similarity index 100% rename from python/converters/vasp/doc/source/converter.rst rename to doc/vasp/source/converter.rst diff --git a/python/converters/vasp/doc/source/example.cfg b/doc/vasp/source/example.cfg similarity index 100% rename from python/converters/vasp/doc/source/example.cfg rename to doc/vasp/source/example.cfg diff --git a/python/converters/vasp/doc/source/index.rst b/doc/vasp/source/index.rst similarity index 100% rename from python/converters/vasp/doc/source/index.rst rename to doc/vasp/source/index.rst diff --git a/python/converters/vasp/notes.txt b/doc/vasp/source/notes.txt similarity index 100% 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