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Martin Kurečka
Plumed AlphaFold
Commits
7df6a094
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7df6a094
authored
10 years ago
by
Giovanni Bussi
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@@ -86,6 +86,7 @@ Changes from version 2.0 which are relevant for developers:
flag (--is-installed) to probe if running from a compilation directory or from a fully installed copy
(this is needed for regtests to work properly).
- Improved class Communicator. Many operations can now be done directly on Vectors, Tensors, std::vector and PLMD::Matrix.
- Modified class RMSD.
- Patches for GPL codes (QuantumEspresso and Gromacs) now also include
original code so as to simplify their modification.
- Fixed dependencies among actions such that it is now possible (and reliable)
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