Commits

Commits on Mar 8, 2024

Update numpy int and float types
yachmena
committedMar 8, 2024

Commits on Oct 26, 2023

Temporary fix of the problem of storing large basis sets into HDF5 (large sets of quantum numbers are stored in the attributes of a dataset)
yachmena
committedOct 26, 2023

Commits on Oct 24, 2023

Update tdse.init_state to compute and return initial vectors in sparse format
yachmena
committedOct 24, 2023

Commits on Oct 17, 2023

Fix #24 , dense array allocation in
yachmena
committedOct 17, 2023

Commits on Sep 13, 2023

Fix string decoding issue when readin mmat_irrep
yachmena
committedSep 13, 2023

Commits on Aug 25, 2023

Change plotting of alignment in rotational density example
yachmena
committedAug 25, 2023
Update README.md
yachmena
committedAug 25, 2023
Update README.md
yachmena
committedAug 25, 2023
Update README.md
yachmena
committedAug 25, 2023
Update README.md
yachmena
committedAug 25, 2023
Add examples of rotational density calculation and sampling
yachmena
committedAug 25, 2023
Improve and fix matrix elements of arbitrary spherical-coordinate functions
yachmena
committedAug 25, 2023

Commits on Aug 23, 2023

Add sqrt(2J+1/8pi) prefactor to grid-based symmetric-top function
yachmena
committedAug 23, 2023
Fix bug with thresh=None
yachmena
committedAug 23, 2023

Commits on Aug 20, 2023

Minor fixes in docstrings for dens_grid and psi_grid
yachmena
committedAug 20, 2023
Link to rotational density docs
yachmena
committedAug 20, 2023
Rotational density on grid using symtop_basis
yachmena
committedAug 20, 2023

Commits on Aug 19, 2023

Clean up
yachmena
committedAug 19, 2023
Wave functions on grid
yachmena
committedAug 19, 2023

Commits on Aug 18, 2023

Sparse-matrix representation for symtop_basis
yachmena
committedAug 18, 2023
Unified symmetric-top basis representation
yachmena
committedAug 18, 2023

Commits on Aug 15, 2023

Improve filter for CarTens.symtop_basis
yachmena
committedAug 15, 2023

Commits on Aug 13, 2023

Filter for symmetric-top basis dic
yachmena
committedAug 13, 2023
Finish test implementation of rotational density
yachmena
committedAug 13, 2023
Store symmetric top basis in a dictionary
yachmena
committedAug 13, 2023

Commits on Aug 10, 2023

Initial implementaion of 'M,K-split' representation of rotational density
yachmena
committedAug 10, 2023

Commits on Jul 24, 2023

Change Boltzman weights 'w' to 'sqrt(w)' in wavepacket coefficients
yachmena
committedJul 24, 2023

Commits on Jun 23, 2023

Delete check of dimensions when reading density
yachmena
committedJun 23, 2023
Add rovibrational tensor as parameter to read density
yachmena
committedJun 23, 2023
Cleanup of hyperfine
yachmena
committedJun 23, 2023
Cleanup
yachmena
committedJun 23, 2023
Raise error on basis for density not matching basis for tensor
yachmena
committedJun 23, 2023
Discard the idea of keepind rot.density as part of hyperfine solution
yachmena
committedJun 23, 2023

Commits on Jun 15, 2023

Modify the way rotational density is stored from hyperfine calculations
yachmena
committedJun 15, 2023

Commits on Jun 12, 2023

Fix reading of rotational density for hyperfine tensor
yachmena
committedJun 12, 2023