diff --git a/test/plovasp/_inpconf/.gitignore b/test/plovasp/inpconf/.gitignore similarity index 100% rename from test/plovasp/_inpconf/.gitignore rename to test/plovasp/inpconf/.gitignore diff --git a/test/plovasp/_inpconf/__init__.py b/test/plovasp/inpconf/__init__.py similarity index 100% rename from test/plovasp/_inpconf/__init__.py rename to test/plovasp/inpconf/__init__.py diff --git a/test/plovasp/_inpconf/arraytest.py b/test/plovasp/inpconf/arraytest.py similarity index 100% rename from test/plovasp/_inpconf/arraytest.py rename to test/plovasp/inpconf/arraytest.py diff --git a/test/plovasp/_inpconf/example.cfg b/test/plovasp/inpconf/example.cfg similarity index 100% rename from test/plovasp/_inpconf/example.cfg rename to test/plovasp/inpconf/example.cfg diff --git a/test/plovasp/_inpconf/example_nogroup.cfg b/test/plovasp/inpconf/example_nogroup.cfg similarity index 100% rename from test/plovasp/_inpconf/example_nogroup.cfg rename to test/plovasp/inpconf/example_nogroup.cfg diff --git a/test/plovasp/_inpconf/input_test_1.cfg b/test/plovasp/inpconf/input_test_1.cfg similarity index 100% rename from test/plovasp/_inpconf/input_test_1.cfg rename to test/plovasp/inpconf/input_test_1.cfg diff --git a/test/plovasp/_inpconf/input_test_2.cfg b/test/plovasp/inpconf/input_test_2.cfg similarity index 100% rename from test/plovasp/_inpconf/input_test_2.cfg rename to test/plovasp/inpconf/input_test_2.cfg diff --git a/test/plovasp/_inpconf/input_test_3.cfg b/test/plovasp/inpconf/input_test_3.cfg similarity index 100% rename from test/plovasp/_inpconf/input_test_3.cfg rename to test/plovasp/inpconf/input_test_3.cfg diff --git a/test/plovasp/_inpconf/input_test_4.cfg b/test/plovasp/inpconf/input_test_4.cfg similarity index 100% rename from test/plovasp/_inpconf/input_test_4.cfg rename to test/plovasp/inpconf/input_test_4.cfg diff --git a/test/plovasp/_inpconf/parse_groups_1.cfg b/test/plovasp/inpconf/parse_groups_1.cfg similarity index 100% rename from test/plovasp/_inpconf/parse_groups_1.cfg rename to test/plovasp/inpconf/parse_groups_1.cfg diff --git a/test/plovasp/_inpconf/parse_shells_1.cfg b/test/plovasp/inpconf/parse_shells_1.cfg similarity index 100% rename from test/plovasp/_inpconf/parse_shells_1.cfg rename to test/plovasp/inpconf/parse_shells_1.cfg diff --git a/test/plovasp/_inpconf/parse_shells_2.cfg b/test/plovasp/inpconf/parse_shells_2.cfg similarity index 100% rename from test/plovasp/_inpconf/parse_shells_2.cfg rename to test/plovasp/inpconf/parse_shells_2.cfg diff --git a/test/plovasp/_inpconf/parse_shells_3.cfg b/test/plovasp/inpconf/parse_shells_3.cfg similarity index 100% rename from test/plovasp/_inpconf/parse_shells_3.cfg rename to test/plovasp/inpconf/parse_shells_3.cfg diff --git a/test/plovasp/_inpconf/parse_shells_4.cfg b/test/plovasp/inpconf/parse_shells_4.cfg similarity index 100% rename from test/plovasp/_inpconf/parse_shells_4.cfg rename to test/plovasp/inpconf/parse_shells_4.cfg diff --git a/test/plovasp/_inpconf/rpath.py b/test/plovasp/inpconf/rpath.py similarity index 100% rename from test/plovasp/_inpconf/rpath.py rename to test/plovasp/inpconf/rpath.py diff --git a/test/plovasp/_inpconf/runtest.sh b/test/plovasp/inpconf/runtest.sh similarity index 100% rename from test/plovasp/_inpconf/runtest.sh rename to test/plovasp/inpconf/runtest.sh diff --git a/test/plovasp/_inpconf/test1.cfg b/test/plovasp/inpconf/test1.cfg similarity index 100% rename from test/plovasp/_inpconf/test1.cfg rename to test/plovasp/inpconf/test1.cfg diff --git a/test/plovasp/_inpconf/test_all.py b/test/plovasp/inpconf/test_all.py similarity index 100% rename from test/plovasp/_inpconf/test_all.py rename to test/plovasp/inpconf/test_all.py diff --git a/test/plovasp/_inpconf/test_general.py b/test/plovasp/inpconf/test_general.py similarity index 92% rename from test/plovasp/_inpconf/test_general.py rename to test/plovasp/inpconf/test_general.py index c388c95e..f5cff3a5 100644 --- a/test/plovasp/_inpconf/test_general.py +++ b/test/plovasp/inpconf/test_general.py @@ -7,7 +7,7 @@ _rpath = os.path.dirname(rpath.__file__) + '/' import arraytest import numpy as np -from inpconf import ConfigParameters +from applications.dft.converters.plovasp.inpconf import ConfigParameters ################################################################################ # diff --git a/test/plovasp/_inpconf/test_groups.py b/test/plovasp/inpconf/test_groups.py similarity index 95% rename from test/plovasp/_inpconf/test_groups.py rename to test/plovasp/inpconf/test_groups.py index 3559ae2a..891990b5 100644 --- a/test/plovasp/_inpconf/test_groups.py +++ b/test/plovasp/inpconf/test_groups.py @@ -7,7 +7,7 @@ _rpath = os.path.dirname(rpath.__file__) + '/' import arraytest import numpy as np -from inpconf import ConfigParameters +from applications.dft.converters.plovasp.inpconf import ConfigParameters ################################################################################ # diff --git a/test/plovasp/_inpconf/test_input.py b/test/plovasp/inpconf/test_input.py similarity index 98% rename from test/plovasp/_inpconf/test_input.py rename to test/plovasp/inpconf/test_input.py index d648f23d..585d6e25 100644 --- a/test/plovasp/_inpconf/test_input.py +++ b/test/plovasp/inpconf/test_input.py @@ -7,7 +7,7 @@ _rpath = os.path.dirname(rpath.__file__) + '/' import arraytest import numpy as np -from inpconf import ConfigParameters +from applications.dft.converters.plovasp.inpconf import ConfigParameters ################################################################################ # diff --git a/test/plovasp/_inpconf/test_parameter_set.py b/test/plovasp/inpconf/test_parameter_set.py similarity index 95% rename from test/plovasp/_inpconf/test_parameter_set.py rename to test/plovasp/inpconf/test_parameter_set.py index f8d7f427..674cd6cf 100644 --- a/test/plovasp/_inpconf/test_parameter_set.py +++ b/test/plovasp/inpconf/test_parameter_set.py @@ -7,7 +7,7 @@ _rpath = os.path.dirname(rpath.__file__) + '/' import arraytest import numpy as np -from inpconf import ConfigParameters +from applications.dft.converters.plovasp.inpconf import ConfigParameters ################################################################################ # diff --git a/test/plovasp/_inpconf/test_shells.py b/test/plovasp/inpconf/test_shells.py similarity index 97% rename from test/plovasp/_inpconf/test_shells.py rename to test/plovasp/inpconf/test_shells.py index 15848fad..90d9c8e4 100644 --- a/test/plovasp/_inpconf/test_shells.py +++ b/test/plovasp/inpconf/test_shells.py @@ -7,7 +7,7 @@ _rpath = os.path.dirname(rpath.__file__) + '/' import arraytest import numpy as np -from inpconf import ConfigParameters +from applications.dft.converters.plovasp.inpconf import ConfigParameters ################################################################################ # diff --git a/test/plovasp/_inpconf/test_special_parsers.py b/test/plovasp/inpconf/test_special_parsers.py similarity index 99% rename from test/plovasp/_inpconf/test_special_parsers.py rename to test/plovasp/inpconf/test_special_parsers.py index b4ffc697..2631e51c 100644 --- a/test/plovasp/_inpconf/test_special_parsers.py +++ b/test/plovasp/inpconf/test_special_parsers.py @@ -7,7 +7,7 @@ _rpath = os.path.dirname(rpath.__file__) + '/' import arraytest import numpy as np -from inpconf import ConfigParameters +from applications.dft.converters.plovasp.inpconf import ConfigParameters ################################################################################ # diff --git a/test/plovasp/_inpconf/tmatrix_file.dat b/test/plovasp/inpconf/tmatrix_file.dat similarity index 100% rename from test/plovasp/_inpconf/tmatrix_file.dat rename to test/plovasp/inpconf/tmatrix_file.dat diff --git a/test/plovasp/_plocar_io/.gitignore b/test/plovasp/plocar_io/.gitignore similarity index 100% rename from test/plovasp/_plocar_io/.gitignore rename to test/plovasp/plocar_io/.gitignore diff --git a/test/plovasp/_plocar_io/PLOCAR.example b/test/plovasp/plocar_io/PLOCAR.example similarity index 100% rename from test/plovasp/_plocar_io/PLOCAR.example rename to test/plovasp/plocar_io/PLOCAR.example diff --git a/test/plovasp/_plocar_io/PLOCAR.example.out b/test/plovasp/plocar_io/PLOCAR.example.out similarity index 100% rename from test/plovasp/_plocar_io/PLOCAR.example.out rename to test/plovasp/plocar_io/PLOCAR.example.out diff --git a/test/plovasp/_plocar_io/PLOCAR.noprec b/test/plovasp/plocar_io/PLOCAR.noprec similarity index 100% rename from test/plovasp/_plocar_io/PLOCAR.noprec rename to test/plovasp/plocar_io/PLOCAR.noprec diff --git a/test/plovasp/_plocar_io/PLOCAR.prec8 b/test/plovasp/plocar_io/PLOCAR.prec8 similarity index 100% rename from test/plovasp/_plocar_io/PLOCAR.prec8 rename to test/plovasp/plocar_io/PLOCAR.prec8 diff --git a/test/plovasp/_plocar_io/PLOCAR.prec8.out b/test/plovasp/plocar_io/PLOCAR.prec8.out similarity index 100% rename from test/plovasp/_plocar_io/PLOCAR.prec8.out rename to test/plovasp/plocar_io/PLOCAR.prec8.out diff --git a/test/plovasp/_plocar_io/PLOCAR.trunc b/test/plovasp/plocar_io/PLOCAR.trunc similarity index 100% rename from test/plovasp/_plocar_io/PLOCAR.trunc rename to test/plovasp/plocar_io/PLOCAR.trunc diff --git a/test/plovasp/_plocar_io/mytest.py b/test/plovasp/plocar_io/mytest.py similarity index 100% rename from test/plovasp/_plocar_io/mytest.py rename to test/plovasp/plocar_io/mytest.py diff --git a/test/plovasp/_plocar_io/runtest.sh b/test/plovasp/plocar_io/runtest.sh similarity index 100% rename from test/plovasp/_plocar_io/runtest.sh rename to test/plovasp/plocar_io/runtest.sh diff --git a/test/plovasp/_plocar_io/test_fileio.py b/test/plovasp/plocar_io/test_fileio.py similarity index 100% rename from test/plovasp/_plocar_io/test_fileio.py rename to test/plovasp/plocar_io/test_fileio.py diff --git a/test/plovasp/_plocar_io/test_plocar_io.py b/test/plovasp/plocar_io/test_plocar_io.py similarity index 100% rename from test/plovasp/_plocar_io/test_plocar_io.py rename to test/plovasp/plocar_io/test_plocar_io.py diff --git a/test/plovasp/_plotools/.gitignore b/test/plovasp/plotools/.gitignore similarity index 100% rename from test/plovasp/_plotools/.gitignore rename to test/plovasp/plotools/.gitignore diff --git a/test/plovasp/_plotools/DOSCAR b/test/plovasp/plotools/DOSCAR similarity index 100% rename from test/plovasp/_plotools/DOSCAR rename to test/plovasp/plotools/DOSCAR diff --git a/test/plovasp/_plotools/EIGENVAL b/test/plovasp/plotools/EIGENVAL similarity index 100% rename from test/plovasp/_plotools/EIGENVAL rename to test/plovasp/plotools/EIGENVAL diff --git a/test/plovasp/_plotools/IBZKPT b/test/plovasp/plotools/IBZKPT similarity index 100% rename from test/plovasp/_plotools/IBZKPT rename to test/plovasp/plotools/IBZKPT diff --git a/test/plovasp/_plotools/OUTCAR b/test/plovasp/plotools/OUTCAR similarity index 100% rename from test/plovasp/_plotools/OUTCAR rename to test/plovasp/plotools/OUTCAR diff --git a/test/plovasp/_plotools/PLOCAR b/test/plovasp/plotools/PLOCAR similarity index 100% rename from test/plovasp/_plotools/PLOCAR rename to test/plovasp/plotools/PLOCAR diff --git a/test/plovasp/_plotools/POSCAR b/test/plovasp/plotools/POSCAR similarity index 100% rename from test/plovasp/_plotools/POSCAR rename to test/plovasp/plotools/POSCAR diff --git a/test/plovasp/_plotools/POSCAR.complex b/test/plovasp/plotools/POSCAR.complex similarity index 100% rename from test/plovasp/_plotools/POSCAR.complex rename to test/plovasp/plotools/POSCAR.complex diff --git a/test/plovasp/_plotools/example.cfg b/test/plovasp/plotools/example.cfg similarity index 100% rename from test/plovasp/_plotools/example.cfg rename to test/plovasp/plotools/example.cfg diff --git a/test/plovasp/_plotools/mytest.py b/test/plovasp/plotools/mytest.py similarity index 100% rename from test/plovasp/_plotools/mytest.py rename to test/plovasp/plotools/mytest.py diff --git a/test/plovasp/_plotools/runtest.sh b/test/plovasp/plotools/runtest.sh similarity index 100% rename from test/plovasp/_plotools/runtest.sh rename to test/plovasp/plotools/runtest.sh diff --git a/test/plovasp/_plotools/test_all.py b/test/plovasp/plotools/test_all.py similarity index 100% rename from test/plovasp/_plotools/test_all.py rename to test/plovasp/plotools/test_all.py diff --git a/test/plovasp/_plotools/test_consistency.py b/test/plovasp/plotools/test_consistency.py similarity index 78% rename from test/plovasp/_plotools/test_consistency.py rename to test/plovasp/plotools/test_consistency.py index bf0a7c0a..52b94f13 100644 --- a/test/plovasp/_plotools/test_consistency.py +++ b/test/plovasp/plotools/test_consistency.py @@ -1,8 +1,8 @@ -import vaspio -from inpconf import ConfigParameters -from plotools import check_data_consistency -from elstruct import ElectronicStructure +import applications.dft.converters.plovasp.vaspio +from applications.dft.converters.plovasp.inpconf import ConfigParameters +from applications.dft.converters.plovasp.plotools import check_data_consistency +from applications.dft.converters.plovasp.elstruct import ElectronicStructure import mytest ################################################################################ diff --git a/test/plovasp/_plotools/wrong_shell.cfg b/test/plovasp/plotools/wrong_shell.cfg similarity index 100% rename from test/plovasp/_plotools/wrong_shell.cfg rename to test/plovasp/plotools/wrong_shell.cfg diff --git a/test/plovasp/_proj_group/.gitignore b/test/plovasp/proj_group/.gitignore similarity index 100% rename from test/plovasp/_proj_group/.gitignore rename to test/plovasp/proj_group/.gitignore diff --git a/test/plovasp/_proj_group/__init__.py b/test/plovasp/proj_group/__init__.py similarity index 100% rename from test/plovasp/_proj_group/__init__.py rename to test/plovasp/proj_group/__init__.py diff --git a/test/plovasp/_proj_group/block_matrix.cfg b/test/plovasp/proj_group/block_matrix.cfg similarity index 100% rename from test/plovasp/_proj_group/block_matrix.cfg rename to test/plovasp/proj_group/block_matrix.cfg diff --git a/test/plovasp/_proj_group/example.cfg b/test/plovasp/proj_group/example.cfg similarity index 100% rename from test/plovasp/_proj_group/example.cfg rename to test/plovasp/proj_group/example.cfg diff --git a/test/plovasp/_proj_group/example_two_site.cfg b/test/plovasp/proj_group/example_two_site.cfg similarity index 100% rename from test/plovasp/_proj_group/example_two_site.cfg rename to test/plovasp/proj_group/example_two_site.cfg diff --git a/test/plovasp/_proj_group/mytest.py b/test/plovasp/proj_group/mytest.py similarity index 100% rename from test/plovasp/_proj_group/mytest.py rename to test/plovasp/proj_group/mytest.py diff --git a/test/plovasp/_proj_group/one_site/DOSCAR b/test/plovasp/proj_group/one_site/DOSCAR similarity index 100% rename from test/plovasp/_proj_group/one_site/DOSCAR rename to test/plovasp/proj_group/one_site/DOSCAR diff --git a/test/plovasp/_proj_group/one_site/EIGENVAL b/test/plovasp/proj_group/one_site/EIGENVAL similarity index 100% rename from test/plovasp/_proj_group/one_site/EIGENVAL rename to test/plovasp/proj_group/one_site/EIGENVAL diff --git a/test/plovasp/_proj_group/one_site/IBZKPT b/test/plovasp/proj_group/one_site/IBZKPT similarity index 100% rename from test/plovasp/_proj_group/one_site/IBZKPT rename to test/plovasp/proj_group/one_site/IBZKPT diff --git a/test/plovasp/_proj_group/one_site/LOCPROJ b/test/plovasp/proj_group/one_site/LOCPROJ similarity index 100% rename from test/plovasp/_proj_group/one_site/LOCPROJ rename to test/plovasp/proj_group/one_site/LOCPROJ diff --git a/test/plovasp/_proj_group/one_site/POSCAR b/test/plovasp/proj_group/one_site/POSCAR similarity index 100% rename from test/plovasp/_proj_group/one_site/POSCAR rename to test/plovasp/proj_group/one_site/POSCAR diff --git a/test/plovasp/_proj_group/projgroups.out b/test/plovasp/proj_group/projgroups.out similarity index 100% rename from test/plovasp/_proj_group/projgroups.out rename to test/plovasp/proj_group/projgroups.out diff --git a/test/plovasp/_proj_group/projortho.out b/test/plovasp/proj_group/projortho.out similarity index 100% rename from test/plovasp/_proj_group/projortho.out rename to test/plovasp/proj_group/projortho.out diff --git a/test/plovasp/_proj_group/projortho_2site.out b/test/plovasp/proj_group/projortho_2site.out similarity index 100% rename from test/plovasp/_proj_group/projortho_2site.out rename to test/plovasp/proj_group/projortho_2site.out diff --git a/test/plovasp/_proj_group/projortho_normion.out b/test/plovasp/proj_group/projortho_normion.out similarity index 100% rename from test/plovasp/_proj_group/projortho_normion.out rename to test/plovasp/proj_group/projortho_normion.out diff --git a/test/plovasp/_proj_group/rpath.py b/test/plovasp/proj_group/rpath.py similarity index 100% rename from test/plovasp/_proj_group/rpath.py rename to test/plovasp/proj_group/rpath.py diff --git a/test/plovasp/_proj_group/runtest.sh b/test/plovasp/proj_group/runtest.sh similarity index 100% rename from test/plovasp/_proj_group/runtest.sh rename to test/plovasp/proj_group/runtest.sh diff --git a/test/plovasp/_proj_group/simple.cfg b/test/plovasp/proj_group/simple.cfg similarity index 100% rename from test/plovasp/_proj_group/simple.cfg rename to test/plovasp/proj_group/simple.cfg diff --git a/test/plovasp/_proj_group/simple/DOSCAR b/test/plovasp/proj_group/simple/DOSCAR similarity index 100% rename from test/plovasp/_proj_group/simple/DOSCAR rename to test/plovasp/proj_group/simple/DOSCAR diff --git a/test/plovasp/_proj_group/simple/EIGENVAL b/test/plovasp/proj_group/simple/EIGENVAL similarity index 100% rename from test/plovasp/_proj_group/simple/EIGENVAL rename to test/plovasp/proj_group/simple/EIGENVAL diff --git a/test/plovasp/_proj_group/simple/IBZKPT b/test/plovasp/proj_group/simple/IBZKPT similarity index 100% rename from test/plovasp/_proj_group/simple/IBZKPT rename to test/plovasp/proj_group/simple/IBZKPT diff --git a/test/plovasp/_proj_group/simple/LOCPROJ b/test/plovasp/proj_group/simple/LOCPROJ similarity index 100% rename from test/plovasp/_proj_group/simple/LOCPROJ rename to test/plovasp/proj_group/simple/LOCPROJ diff --git a/test/plovasp/_proj_group/simple/POSCAR b/test/plovasp/proj_group/simple/POSCAR similarity index 100% rename from test/plovasp/_proj_group/simple/POSCAR rename to test/plovasp/proj_group/simple/POSCAR diff --git a/test/plovasp/_proj_group/simple/PROJCAR b/test/plovasp/proj_group/simple/PROJCAR similarity index 100% rename from test/plovasp/_proj_group/simple/PROJCAR rename to test/plovasp/proj_group/simple/PROJCAR diff --git a/test/plovasp/_proj_group/test_all.py b/test/plovasp/proj_group/test_all.py similarity index 100% rename from test/plovasp/_proj_group/test_all.py rename to test/plovasp/proj_group/test_all.py diff --git a/test/plovasp/_proj_group/test_block_map.py b/test/plovasp/proj_group/test_block_map.py similarity index 90% rename from test/plovasp/_proj_group/test_block_map.py rename to test/plovasp/proj_group/test_block_map.py index d09062ac..fa3eac93 100644 --- a/test/plovasp/_proj_group/test_block_map.py +++ b/test/plovasp/proj_group/test_block_map.py @@ -4,11 +4,11 @@ import rpath _rpath = os.path.dirname(rpath.__file__) + '/' import numpy as np -import vaspio -import elstruct -from inpconf import ConfigParameters -from proj_shell import ProjectorShell -from proj_group import ProjectorGroup +import applications.dft.converters.plovasp.vaspio +import applications.dft.converters.plovasp.elstruct +from applications.dft.converters.plovasp.inpconf import ConfigParameters +from applications.dft.converters.plovasp.proj_shell import ProjectorShell +from applications.dft.converters.plovasp.proj_group import ProjectorGroup import mytest ################################################################################ diff --git a/test/plovasp/_proj_group/test_one_site.py b/test/plovasp/proj_group/test_one_site.py similarity index 86% rename from test/plovasp/_proj_group/test_one_site.py rename to test/plovasp/proj_group/test_one_site.py index 87b4023a..939a9b5d 100644 --- a/test/plovasp/_proj_group/test_one_site.py +++ b/test/plovasp/proj_group/test_one_site.py @@ -4,11 +4,11 @@ import rpath _rpath = os.path.dirname(rpath.__file__) + '/' import numpy as np -import vaspio -import elstruct -from inpconf import ConfigParameters -from proj_shell import ProjectorShell -from proj_group import ProjectorGroup +import applications.dft.converters.plovasp.vaspio +import applications.dft.converters.plovasp.elstruct +from applications.dft.converters.plovasp.inpconf import ConfigParameters +from applications.dft.converters.plovasp.proj_shell import ProjectorShell +from applications.dft.converters.plovasp.proj_group import ProjectorGroup import mytest ################################################################################ diff --git a/test/plovasp/_proj_group/test_select_bands.py b/test/plovasp/proj_group/test_select_bands.py similarity index 86% rename from test/plovasp/_proj_group/test_select_bands.py rename to test/plovasp/proj_group/test_select_bands.py index 4d4fff7c..fd41a6e0 100644 --- a/test/plovasp/_proj_group/test_select_bands.py +++ b/test/plovasp/proj_group/test_select_bands.py @@ -4,11 +4,11 @@ import rpath _rpath = os.path.dirname(rpath.__file__) + '/' import numpy as np -import vaspio -import elstruct -from inpconf import ConfigParameters -from proj_shell import ProjectorShell -from proj_group import ProjectorGroup +import applications.dft.converters.plovasp.vaspio +import applications.dft.converters.plovasp.elstruct +from applications.dft.converters.plovasp.inpconf import ConfigParameters +from applications.dft.converters.plovasp.proj_shell import ProjectorShell +from applications.dft.converters.plovasp.proj_group import ProjectorGroup import mytest ################################################################################ diff --git a/test/plovasp/_proj_group/test_two_site.py b/test/plovasp/proj_group/test_two_site.py similarity index 88% rename from test/plovasp/_proj_group/test_two_site.py rename to test/plovasp/proj_group/test_two_site.py index 851b5108..bd83d55a 100644 --- a/test/plovasp/_proj_group/test_two_site.py +++ b/test/plovasp/proj_group/test_two_site.py @@ -4,11 +4,11 @@ import rpath _rpath = os.path.dirname(rpath.__file__) + '/' import numpy as np -import vaspio -import elstruct -from inpconf import ConfigParameters -from proj_shell import ProjectorShell -from proj_group import ProjectorGroup +import applications.dft.converters.plovasp.vaspio +import applications.dft.converters.plovasp.elstruct +from applications.dft.converters.plovasp.inpconf import ConfigParameters +from applications.dft.converters.plovasp.proj_shell import ProjectorShell +from applications.dft.converters.plovasp.proj_group import ProjectorGroup import mytest ################################################################################ diff --git a/test/plovasp/_proj_group/two_site/DOSCAR b/test/plovasp/proj_group/two_site/DOSCAR similarity index 100% rename from test/plovasp/_proj_group/two_site/DOSCAR rename to test/plovasp/proj_group/two_site/DOSCAR diff --git a/test/plovasp/_proj_group/two_site/EIGENVAL b/test/plovasp/proj_group/two_site/EIGENVAL similarity index 100% rename from test/plovasp/_proj_group/two_site/EIGENVAL rename to test/plovasp/proj_group/two_site/EIGENVAL diff --git a/test/plovasp/_proj_group/two_site/IBZKPT b/test/plovasp/proj_group/two_site/IBZKPT similarity index 100% rename from test/plovasp/_proj_group/two_site/IBZKPT rename to test/plovasp/proj_group/two_site/IBZKPT diff --git a/test/plovasp/_proj_group/two_site/LOCPROJ b/test/plovasp/proj_group/two_site/LOCPROJ similarity index 100% rename from test/plovasp/_proj_group/two_site/LOCPROJ rename to test/plovasp/proj_group/two_site/LOCPROJ diff --git a/test/plovasp/_proj_group/two_site/POSCAR b/test/plovasp/proj_group/two_site/POSCAR similarity index 100% rename from test/plovasp/_proj_group/two_site/POSCAR rename to test/plovasp/proj_group/two_site/POSCAR diff --git a/test/plovasp/_proj_group/two_site/PROJCAR b/test/plovasp/proj_group/two_site/PROJCAR similarity index 100% rename from test/plovasp/_proj_group/two_site/PROJCAR rename to test/plovasp/proj_group/two_site/PROJCAR diff --git a/test/plovasp/_proj_shell/.gitignore b/test/plovasp/proj_shell/.gitignore similarity index 100% rename from test/plovasp/_proj_shell/.gitignore rename to test/plovasp/proj_shell/.gitignore diff --git a/test/plovasp/_proj_shell/__init__.py b/test/plovasp/proj_shell/__init__.py similarity index 100% rename from test/plovasp/_proj_shell/__init__.py rename to test/plovasp/proj_shell/__init__.py diff --git a/test/plovasp/_proj_shell/densmat.out b/test/plovasp/proj_shell/densmat.out similarity index 100% rename from test/plovasp/_proj_shell/densmat.out rename to test/plovasp/proj_shell/densmat.out diff --git a/test/plovasp/_proj_shell/example.cfg b/test/plovasp/proj_shell/example.cfg similarity index 100% rename from test/plovasp/_proj_shell/example.cfg rename to test/plovasp/proj_shell/example.cfg diff --git a/test/plovasp/_proj_shell/mytest.py b/test/plovasp/proj_shell/mytest.py similarity index 100% rename from test/plovasp/_proj_shell/mytest.py rename to test/plovasp/proj_shell/mytest.py diff --git a/test/plovasp/_proj_shell/one_site/DOSCAR b/test/plovasp/proj_shell/one_site/DOSCAR similarity index 100% rename from test/plovasp/_proj_shell/one_site/DOSCAR rename to test/plovasp/proj_shell/one_site/DOSCAR diff --git a/test/plovasp/_proj_shell/one_site/EIGENVAL b/test/plovasp/proj_shell/one_site/EIGENVAL similarity index 100% rename from test/plovasp/_proj_shell/one_site/EIGENVAL rename to test/plovasp/proj_shell/one_site/EIGENVAL diff --git a/test/plovasp/_proj_shell/one_site/IBZKPT b/test/plovasp/proj_shell/one_site/IBZKPT similarity index 100% rename from test/plovasp/_proj_shell/one_site/IBZKPT rename to test/plovasp/proj_shell/one_site/IBZKPT diff --git a/test/plovasp/_proj_shell/one_site/LOCPROJ b/test/plovasp/proj_shell/one_site/LOCPROJ similarity index 100% rename from test/plovasp/_proj_shell/one_site/LOCPROJ rename to test/plovasp/proj_shell/one_site/LOCPROJ diff --git a/test/plovasp/_proj_shell/one_site/POSCAR b/test/plovasp/proj_shell/one_site/POSCAR similarity index 100% rename from test/plovasp/_proj_shell/one_site/POSCAR rename to test/plovasp/proj_shell/one_site/POSCAR diff --git a/test/plovasp/_proj_shell/one_site/PROJCAR b/test/plovasp/proj_shell/one_site/PROJCAR similarity index 100% rename from test/plovasp/_proj_shell/one_site/PROJCAR rename to test/plovasp/proj_shell/one_site/PROJCAR diff --git a/test/plovasp/_proj_shell/projshells.out b/test/plovasp/proj_shell/projshells.out similarity index 100% rename from test/plovasp/_proj_shell/projshells.out rename to test/plovasp/proj_shell/projshells.out diff --git a/test/plovasp/_proj_shell/rpath.py b/test/plovasp/proj_shell/rpath.py similarity index 100% rename from test/plovasp/_proj_shell/rpath.py rename to test/plovasp/proj_shell/rpath.py diff --git a/test/plovasp/_proj_shell/runtest.sh b/test/plovasp/proj_shell/runtest.sh similarity index 100% rename from test/plovasp/_proj_shell/runtest.sh rename to test/plovasp/proj_shell/runtest.sh diff --git a/test/plovasp/_proj_shell/test_all.py b/test/plovasp/proj_shell/test_all.py similarity index 100% rename from test/plovasp/_proj_shell/test_all.py rename to test/plovasp/proj_shell/test_all.py diff --git a/test/plovasp/_proj_shell/test_projshells.py b/test/plovasp/proj_shell/test_projshells.py similarity index 88% rename from test/plovasp/_proj_shell/test_projshells.py rename to test/plovasp/proj_shell/test_projshells.py index 5f4b9aeb..75e68759 100644 --- a/test/plovasp/_proj_shell/test_projshells.py +++ b/test/plovasp/proj_shell/test_projshells.py @@ -4,11 +4,11 @@ import rpath _rpath = os.path.dirname(rpath.__file__) + '/' import numpy as np -import vaspio -import elstruct -from inpconf import ConfigParameters -from proj_shell import ProjectorShell -from proj_group import ProjectorGroup +import applications.dft.converters.plovasp.vaspio +import applications.dft.converters.plovasp.elstruct +from applications.dft.converters.plovasp.inpconf import ConfigParameters +from applications.dft.converters.plovasp.proj_shell import ProjectorShell +from applications.dft.converters.plovasp.proj_group import ProjectorGroup import mytest ################################################################################ diff --git a/test/plovasp/_vaspio/.gitignore b/test/plovasp/vaspio/.gitignore similarity index 100% rename from test/plovasp/_vaspio/.gitignore rename to test/plovasp/vaspio/.gitignore diff --git a/test/plovasp/_vaspio/DOSCAR.example b/test/plovasp/vaspio/DOSCAR.example similarity index 100% rename from test/plovasp/_vaspio/DOSCAR.example rename to test/plovasp/vaspio/DOSCAR.example diff --git a/test/plovasp/_vaspio/EIGENVAL.example b/test/plovasp/vaspio/EIGENVAL.example similarity index 100% rename from test/plovasp/_vaspio/EIGENVAL.example rename to test/plovasp/vaspio/EIGENVAL.example diff --git a/test/plovasp/_vaspio/EIGENVAL.example.out b/test/plovasp/vaspio/EIGENVAL.example.out similarity index 100% rename from test/plovasp/_vaspio/EIGENVAL.example.out rename to test/plovasp/vaspio/EIGENVAL.example.out diff --git a/test/plovasp/_vaspio/EIGENVAL.wrong b/test/plovasp/vaspio/EIGENVAL.wrong similarity index 100% rename from test/plovasp/_vaspio/EIGENVAL.wrong rename to test/plovasp/vaspio/EIGENVAL.wrong diff --git a/test/plovasp/_vaspio/IBZKPT.example b/test/plovasp/vaspio/IBZKPT.example similarity index 100% rename from test/plovasp/_vaspio/IBZKPT.example rename to test/plovasp/vaspio/IBZKPT.example diff --git a/test/plovasp/_vaspio/IBZKPT.example.out b/test/plovasp/vaspio/IBZKPT.example.out similarity index 100% rename from test/plovasp/_vaspio/IBZKPT.example.out rename to test/plovasp/vaspio/IBZKPT.example.out diff --git a/test/plovasp/_vaspio/IBZKPT.notet b/test/plovasp/vaspio/IBZKPT.notet similarity index 100% rename from test/plovasp/_vaspio/IBZKPT.notet rename to test/plovasp/vaspio/IBZKPT.notet diff --git a/test/plovasp/_vaspio/IBZKPT.notet.out b/test/plovasp/vaspio/IBZKPT.notet.out similarity index 100% rename from test/plovasp/_vaspio/IBZKPT.notet.out rename to test/plovasp/vaspio/IBZKPT.notet.out diff --git a/test/plovasp/_vaspio/POSCAR.complex b/test/plovasp/vaspio/POSCAR.complex similarity index 100% rename from test/plovasp/_vaspio/POSCAR.complex rename to test/plovasp/vaspio/POSCAR.complex diff --git a/test/plovasp/_vaspio/POSCAR.example b/test/plovasp/vaspio/POSCAR.example similarity index 100% rename from test/plovasp/_vaspio/POSCAR.example rename to test/plovasp/vaspio/POSCAR.example diff --git a/test/plovasp/_vaspio/POSCAR.example.out b/test/plovasp/vaspio/POSCAR.example.out similarity index 100% rename from test/plovasp/_vaspio/POSCAR.example.out rename to test/plovasp/vaspio/POSCAR.example.out diff --git a/test/plovasp/_vaspio/__init__.py b/test/plovasp/vaspio/__init__.py similarity index 100% rename from test/plovasp/_vaspio/__init__.py rename to test/plovasp/vaspio/__init__.py diff --git a/test/plovasp/_vaspio/mytest.py b/test/plovasp/vaspio/mytest.py similarity index 100% rename from test/plovasp/_vaspio/mytest.py rename to test/plovasp/vaspio/mytest.py diff --git a/test/plovasp/_vaspio/rpath.py b/test/plovasp/vaspio/rpath.py similarity index 100% rename from test/plovasp/_vaspio/rpath.py rename to test/plovasp/vaspio/rpath.py diff --git a/test/plovasp/_vaspio/runtest.sh b/test/plovasp/vaspio/runtest.sh similarity index 100% rename from test/plovasp/_vaspio/runtest.sh rename to test/plovasp/vaspio/runtest.sh diff --git a/test/plovasp/_vaspio/test_all.py b/test/plovasp/vaspio/test_all.py similarity index 100% rename from test/plovasp/_vaspio/test_all.py rename to test/plovasp/vaspio/test_all.py diff --git a/test/plovasp/_vaspio/test_doscar.py b/test/plovasp/vaspio/test_doscar.py similarity index 100% rename from test/plovasp/_vaspio/test_doscar.py rename to test/plovasp/vaspio/test_doscar.py diff --git a/test/plovasp/_vaspio/test_eigenval.py b/test/plovasp/vaspio/test_eigenval.py similarity index 100% rename from test/plovasp/_vaspio/test_eigenval.py rename to test/plovasp/vaspio/test_eigenval.py diff --git a/test/plovasp/_vaspio/test_kpoints.py b/test/plovasp/vaspio/test_kpoints.py similarity index 100% rename from test/plovasp/_vaspio/test_kpoints.py rename to test/plovasp/vaspio/test_kpoints.py diff --git a/test/plovasp/_vaspio/test_poscar.py b/test/plovasp/vaspio/test_poscar.py similarity index 100% rename from test/plovasp/_vaspio/test_poscar.py rename to test/plovasp/vaspio/test_poscar.py