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13 Jun 2024: The Cambridge Energy Landscape Database. Here we are posting the results of global optimizations for a variety of systems in a downloadable form. New results will be added once the corresponding papers have been accepted for publication. Various

22 Jun 2024: PATHSAMPLE: A driver for OPTIM to create stationary point databases using discrete path sampling and perform kinetic analysis. PATHSAMPLE is distributed free of charge under the GPL as part of the current svn software image from the group. Example

1 Jul 2024: For this keyword to work, you must first download the C++ source code into OPTIM/cppneb/external (running the script OPTIM/source/setup.sh does this automatically).

1 Jul 2024: Next: Angular Steps Up: GMIN User Guide Previous:The. data. file. Input is keyword driven with sensible defaults in most cases. Free format may be used within each line. Blank lines are ignored. The following keywords are recognised, where n and x

22 Jun 2024: GMIN: A program for finding global minima and calculating thermodynamic properties from basin-sampling. GMIN is distributed free of charge under the GPL as part of the current svn software image from the group. The Makefiles assume that the source