3.0.2 maintenance - update subprojects (#376)

crest-lab · Dec 1, 2024 · e5c4985 · e5c4985
2 parents a12cb48 + 3050775
commit e5c4985
Show file tree

Hide file tree

Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/subprojects/tblite b/subprojects/tblite
diff --git a/subprojects/test-drive b/subprojects/test-drive
diff --git a/subprojects/toml-f b/subprojects/toml-f
+2 −2		.github/workflows/build.yml
+1 −1		.github/workflows/doc.yml
+70 −46		.github/workflows/wheel.yml
+1 −1		CMakeLists.txt
+3 −1		config/cmake/Finddftd4.cmake
+1 −1		config/cmake/Findmctc-lib.cmake
+3 −1		config/cmake/Findmstore.cmake
+3 −1		config/cmake/Findmulticharge.cmake
+2 −2		config/cmake/Finds-dftd3.cmake
+3 −1		config/cmake/Findtoml-f.cmake
+8 −7		config/meson.build
+2 −2		doc/conf.py
+9 −4		fpm.toml
+1 −1		meson.build
+1 −1		python/ffi-builder.py
+1 −1		python/meson.build
+4 −2		python/pyproject.toml
+36 −3		python/tblite/interface.py
+0 −2		python/tblite/library.py
+2 −0		python/tblite/meson.build
+1 −0		python/tblite/py.typed
+2 −1		python/tblite/qcschema.py
+37 −1		python/tblite/test_interface.py
+7 −2		python/tblite/test_qcschema.py
+42 −19		src/tblite/ceh/ceh.f90
+1 −1		src/tblite/ceh/singlepoint.f90
+30 −0		src/tblite/container/list.f90
+17 −0		src/tblite/container/type.f90
+16 −6		src/tblite/coulomb/charge/effective.f90
+79 −0		src/tblite/coulomb/charge/type.f90
+1 −0		src/tblite/coulomb/multipole.f90
+40 −0		src/tblite/coulomb/thirdorder.f90
+18 −0		src/tblite/external/field.f90
+6 −6		src/tblite/scf/mixer/broyden.f90
+35 −1		src/tblite/scf/potential.f90
+3 −2		src/tblite/solvation/cpcm_dd.f90
+1 −1		src/tblite/solvation/surface.f90
+2 −2		src/tblite/version.f90
+31 −1		src/tblite/wavefunction/type.f90
+27 −0		src/tblite/xtb/coulomb.f90
+1 −1		subprojects/dftd4.wrap
+1 −1		subprojects/mctc-lib.wrap
+1 −1		subprojects/multicharge.wrap
+1 −1		subprojects/s-dftd3.wrap
+1 −1		subprojects/toml-f.wrap
+1 −0		test/unit/CMakeLists.txt
+2 −0		test/unit/main.f90
+2 −1		test/unit/meson.build
+441 −2		test/unit/test_coulomb_charge.f90
+1,087 −0		test/unit/test_coulomb_thirdorder.f90
+4 −4		test/unit/test_integral_overlap.f90
+24 −24		test/unit/test_solvation_surface.f90
+3 −9		.github/workflows/build.yml
+1 −1		CMakeLists.txt
+13 −2		README.md
+18 −14		config/CMakeLists.txt
+1 −1		fpm.toml
+4 −2		meson.build
+7 −0		meson_options.txt
+474 −21		src/testdrive.F90
+2 −2		src/testdrive_version.f90
+9 −4		test/main.f90