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fbonafe
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dftbplus
DFTB+ general package for performing fast atomistic simulations
http://www.dftbplus.org
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Add pump-probe scripts and tests
#11
fbonafe
opened
2 years ago
0
Fix for kick and ion dynamics
#10
bhourahine
closed
4 years ago
3
Restart of code from tddump
#9
bhourahine
closed
4 years ago
0
Fix for parser with combined laser+kick
#8
bhourahine
closed
4 years ago
1
Restart from ascii file for td routines
#7
bhourahine
closed
4 years ago
3
KVTimePropBond
#6
bhourahine
closed
4 years ago
0
Populations: diagonalization error
#5
fbonafe
opened
5 years ago
2
Ehrenfest load dm
#4
bhourahine
closed
5 years ago
2
Ehrenfest save dm
#3
bhourahine
closed
5 years ago
3
Changed dummy thermostat to cope with zero temperature
#2
bhourahine
closed
5 years ago
0
Changed to enable restarting exactly
#1
bhourahine
closed
5 years ago
1