Andreas Tillack

This PR adds the argument `--output-cluster-poses` which controls how many poses are output per result cluster. The following options are available: - `0` and `all` is the current default behavior...

Regression with float4 type in Occa 1.6.0

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When using `float4` data types in Occa 1.6.0 I get errors like the following: ``` ---[ Error ]-------------------------------------------------------------------- File : /Users/andreas/sources/occa-1.6.0/src/occa/internal/modes/serial/device.cpp Line : 383 Function : operator() Message : Error...

This PR adds functionality to build an OpenCL Windows version using VisualStudio. Additionally, to make future expansions a bit easier, I merged the OpenCL and Cuda host source (performdocking.h/cpp). In...

This PR allows to use an AD-GPU result xml to serve as input to start a docking. Currently, this is not complete (no parsing of the command line parameters in...