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sabia-group
/
gensec
A program for sampling the conformational space of flexible molecules with respect to specified surroundings.
https://sabia-group.github.io/gensec/
GNU Lesser General Public License v2.1
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I have blacked all files and will now start a code review
#4
mahrossi
closed
3 years ago
0
Combining of the different Hessian parts
#3
maksimovdmitrii
closed
3 years ago
1
vdW Hessian matrix should show performance gain as preconditioner
#2
maksimovdmitrii
closed
3 years ago
1
Updating of the preconditioner with RMSD
#1
maksimovdmitrii
closed
3 years ago
1