| add keyword Emax to disconnectivity graph |
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about 13 years ago
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| ignoring .pyo files |
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about 13 years ago
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| removed obsolete guisystem class |
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about 13 years ago
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| params can be edited from gui |
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about 13 years ago
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| Merge branch 'master' of https://[email protected]/js850/PyGMIN.git |
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about 13 years ago
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| started gui dialog for standard parameter editing |
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about 13 years ago
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| add new features to disconnectivity graph |
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about 13 years ago
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| Finish integrating the Parameters class |
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about 13 years ago
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| add a very rudametary parameter storage class to BaseSystem |
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about 13 years ago
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| make random displacement the default takestep in BaseSystem |
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about 13 years ago
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| move the rest of the gui methods to the System class |
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about 13 years ago
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| examples/gui/ljsystem.py derives from the System class |
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about 13 years ago
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| add a blj system class |
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about 13 years ago
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| add class AtomicCluster which derrives from BaseSystem |
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about 13 years ago
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| add documentation to BaseSystem |
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about 13 years ago
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| Add a class BaseSystem |
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about 13 years ago
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| cleanup and comment DistanceGraph |
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about 13 years ago
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| add a few more features to disconnectivity graph |
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about 13 years ago
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| fix a small bug in DoubleEndedConnect |
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about 13 years ago
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| add comments to DistanceGraph and connect_min |
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about 13 years ago
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| Add the permutational alignment algorithm from OPTIM |
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about 13 years ago
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| fix some bugs in DistanceGraph and Graph |
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about 13 years ago
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| fix mergeMinimum in DistanceGraph and Graph |
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about 13 years ago
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| move DistanceGraph to new file |
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about 13 years ago
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| modify DistanceGraph handling of new minima |
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about 13 years ago
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| Merge branch 'master' of github.com:js850/PyGMIN |
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about 13 years ago
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| make_disconnectivity_graph.py can read min.data and ts.data files |
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about 13 years ago
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| update checkGraph in connect_min |
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about 13 years ago
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| added neb example in connect folder |
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about 13 years ago
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| added alignment in tip4p example |
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about 13 years ago
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