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onetep-devel
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utils-devel
Utility scripts and other resources for the ONETEP linear-scaling DFT code
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DFTB repulsion parameters
#7
aryhant19
closed
1 week ago
0
DFTB parameter files
#6
aryhant19
closed
3 weeks ago
0
Inclusion of electronegativity data (EN) for certain elements.
#5
aryhant19
closed
9 months ago
0
Wrong formatting in pdb2dat
#4
iliqKichev
closed
1 year ago
1
Added the DFTB subdir to utilities
#3
JacekDziedzic
closed
2 years ago
0
Further utilities.
#2
JacekDziedzic
closed
2 years ago
0
Ported all utilities formerly in the ONETEP repository. Not resources yet.
#1
JacekDziedzic
closed
2 years ago
0