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mcaroba
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turbogap
The TurboGAP code
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Inno4Scale things to be done
#19
csccva
opened
2 weeks ago
0
Crash when missing `n_mc_mu` keyword in input file
#17
max-veit
opened
1 month ago
0
Implement or add a testing framework
#16
max-veit
opened
2 months ago
0
Add capability for electrostatics from ML charges
#15
max-veit
opened
3 months ago
1
convergence when fix_atoms set
#14
janklinux
opened
5 months ago
0
Select atoms by group to apply physical processes, Parallelized stopping and adaptive-timing
#13
sahaua
opened
11 months ago
1
More general features for electronic sub-system in stopping
#12
sahaua
closed
12 months ago
0
Stopping2
#11
sahaua
closed
1 year ago
0
Issue with the new soap_turbo_radial.f90 file
#10
sahaua
closed
1 year ago
0
Stopping
#9
sahaua
closed
1 year ago
0
additional information from init.xyz lost in MD run
#8
richardjana
opened
1 year ago
0
Hamiltonian-MC MD moves don't perform any MD steps
#7
mcaroba
opened
1 year ago
0
Create test
#6
csccva
closed
2 years ago
2
Different results when running the process on 2 CPU cores and 4 CPU cores
#5
abd-adhyatma
closed
2 years ago
5
Path to gap_files is not added in new make_gap_files.py
#4
Rinochek
opened
2 years ago
8
New make_gap.py generates only one Hirshfeld alphase
#3
Rinochek
opened
2 years ago
4
Update make_gap_files.py
#2
richardjana
closed
2 years ago
0
No turbosoap branch in GAP
#1
tiandijunhao
closed
3 years ago
1