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CFEL-CMI
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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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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