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Martin Kurečka
Plumed AlphaFold
Commits
4465e0881bb0a33c039f4b4a2859b93af8c358e4
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plumed-alphafold
src
gridtools
FindContourSurface.cpp
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Martin Kurečka
xkurecka
1 author
Jun 20, 2016
headers
· 4465e088
Giovanni Bussi
authored
8 years ago
4465e088
May 09, 2016
Small fix to Fourier transform and to finding of grid points on surface
· d0657c59
Gareth Tribello
authored
8 years ago
d0657c59
May 04, 2016
Fix of problem with FindContourSurface in rt-wcsurface2
· c88c6bfd
Gareth Tribello
authored
8 years ago
c88c6bfd
May 02, 2016
Started adding all the stuff for reweighting in an averaging base class
· a8cfda16
Gareth Tribello
authored
8 years ago
a8cfda16
Added base class for creating grid and made everything involving grids inherits from here
· 6dae14cc
Gareth Tribello
authored
8 years ago
6dae14cc
Parallelized most of the sutff for contour finding and added a base class for these actions
· b51fe526
Gareth Tribello
authored
8 years ago
b51fe526
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