Developer API ============================================== api - The main API Module ------------------------------------------------ .. automodule:: basis_set_exchange.api :members: bundle - Creation of bundles/archives ------------------------------------------------ .. automodule:: basis_set_exchange.bundle :members: compose - Composition of basis set information ------------------------------------------------ .. automodule:: basis_set_exchange.compose :members: convert - Conversion of formatted basis set data/files ------------------------------------------------------ .. automodule:: basis_set_exchange.convert :members: fileio - Input/Output of files (including json) ------------------------------------------------ .. automodule:: basis_set_exchange.fileio :members: lut - Lookup tables element information ------------------------------------------------ .. automodule:: basis_set_exchange.lut :members: manip - Manipulation of basis sets ------------------------------------------------ .. automodule:: basis_set_exchange.manip :members: memo - Custom memoization decorator ------------------------------------------------ .. automodule:: basis_set_exchange.memo :members: misc - Miscellaneous helper functions ------------------------------------------------ .. automodule:: basis_set_exchange.misc :members: notes - Handling of notes ------------------------------------------------ .. automodule:: basis_set_exchange.notes :members: printing - Functions for printing/outputting pieces of basis sets ----------------------------------------------------------------- .. automodule:: basis_set_exchange.printing :members: references - Handling of reference data ------------------------------------------------ .. automodule:: basis_set_exchange.references :members: skel - Creating of python object skeletons of basis set data ------------------------------------------------------------ .. automodule:: basis_set_exchange.skel :members: sort - Sorting of basis set data ------------------------------------------------ .. automodule:: basis_set_exchange.sort :members: validator - Validation of basis sets ------------------------------------------------ .. automodule:: basis_set_exchange.validator :members: