MadCatX

Struct alignment issues cause TPP protocol breakage

4

I ran into this issue while setting up an OpenPBS installation on a few CentOS machines. The server runs CentOS 8 and OpenPBS 20 installed from RPMs downloaded from OpenPBS...

I work with some code that uses non-PTR handle objects whose implementations are expensive to copy-assign. Please consider pulling this patch that allows PIMPLHandles to take advantage of C++11 move...

Replace loop with explicit formula

1

Iterative calculation of the number of bins in `Parallel2DExecutor` can be replaced by an explicit formula. Test code: ```c++ #include #include int main() { for (int nCpus = 2; nCpus...

ParallelExecutor executes in multiple threads when it should not, causes access to invalid TLS

8

Hello everyone, I have been seeing an odd crash in some of [molmodel](https://github.com/samuelflores/molmodel) unit tests which I eventually traced back to Simbody's `ParallelExecutor` running in multithreaded mode even when it...

Add NtC Tube representation

5

This adds another representation to visualize NtC conformers. The representation uses the same data as Confal Pyramids. This representation draws a tube through C5' -> O3' -> C5' -> ......

This patch intends to streamline the building process on Windows and makes use of some more advanced Windows functionality. Specifically, the patch: * Isolates a lot Windows/POSIX-specific code into separate...

Add basic Unicode support

8

This patch adds basic Unicode support to the UI. It relies on Freetype font renderer and is hidden by default behind UI_UNICODE flag. Encoding support is currently limited to UTF-8....

Current implementation of openmp_range_algebra uses unsigned type (`size_t`) as index in for loops that are parallelized by OpenMP. This is not supported by MSVC. Additionally, as MSVC is still stuck...