Generalized QTAG algorithm with support for multidimensional systems. The biggest modifications include:
-Removal of QTAG_assembler.py, the old assembly module responsible for conditional importing of other modules. All modules are now imported by default.
-Inclusion of a function in QTAG_ham.py for computing the potential integrals via bra-ket Taylor expansion (BAT), which will be necessary for interfacing with future electronic structure calculations.
-New model potentials in QTAG_pots.py, although these don't necessarily impact the main code unless they are used.
-More utilization of the Libra checks for user-defined input dictionaries (still contained in QTAG_config.py).
-Improved function and variable names for clarity.
Generalized QTAG algorithm with support for multidimensional systems. The biggest modifications include:
-Removal of QTAG_assembler.py, the old assembly module responsible for conditional importing of other modules. All modules are now imported by default. -Inclusion of a function in QTAG_ham.py for computing the potential integrals via bra-ket Taylor expansion (BAT), which will be necessary for interfacing with future electronic structure calculations. -New model potentials in QTAG_pots.py, although these don't necessarily impact the main code unless they are used. -More utilization of the Libra checks for user-defined input dictionaries (still contained in QTAG_config.py). -Improved function and variable names for clarity.