CFEL-CMI richmol issues

CFEL-CMI / richmol

Richmol is for variational simulations of molecular nuclear motion dynamics in fields

https://www.controlled-molecule-imaging.org/research/software/

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issues

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Unable to tdse.initial_state

#24 nidin1996 opened 11 months ago
2
K- and M-tensors of Cartesian tensor operators read from TROVE and not individually Hermitian

#23 yachmena closed 1 year ago
3
Build Issues

#22 mlawson00 closed 1 year ago
2
Problem with tdse.update()

#21 samoplesnik closed 3 years ago
1
Add propagator selection argument to `tdse.TDSE.update()`

#20 saribalc closed 2 years ago
1
Install and run test on MacOS

#19 emiljzak closed 3 years ago
9
Add tutorial on how to use `tdse` with MPI

#18 saribalc closed 3 years ago
0
Update tutorial spectrum_101.ipynb

#17 yachmena closed 3 years ago
0
Problem in TDSE after recent update

#16 yachmena closed 3 years ago
1
Add examples of spectrum simulations

#15 yachmena closed 3 years ago
9
Quadrupole intensities in spectrum.py

#14 yachmena closed 3 years ago
1
Slow field-free propagation

#13 yachmena closed 3 years ago
2
Issue with expokit time-propagator

#12 yachmena closed 3 years ago
10
HITRAN format output from spectrum.py

#11 yachmena opened 3 years ago
0
Create release v1 candidate

#10 jokuha opened 3 years ago
6
Provide user and developer documentation on readthedocs

#9 jokuha closed 3 years ago
0
Improve dcoumentation entrance – incl. README.md

#8 jokuha closed 3 years ago
0
Fixes to FBR nuclear motion code

#7 emiljzak closed 3 years ago
2
Extend tests for 'tdtools' feature

#6 saribalc closed 3 years ago
0
Debug matrix exponential methods 'arnoldi' and 'lanczos'

#5 saribalc closed 3 years ago
1
Implement test for matrix exponential methods

#4 saribalc closed 4 years ago
4
Use git-flow branching

#3 jokuha closed 3 years ago
0
Provide a standard CMI Python project layout and utilities

#2 jokuha closed 2 years ago
0
Fill the metadata on github and add info to CMI website

#1 jokuha closed 3 years ago
1