Merge pull request #252 from L30nardoSV/tensorcores

Speeding up sum reductions in ADADELTA by using Tensor Cores

Merge pull request #169 from atillack/M1_fix

Fixes for Apple

Merge pull request #153 from atillack/memory_related_fixes

Fix for memory double freeing and wrong Cuda device in certain cases

Merge pull request #151 from atillack/cuda_optimization

Cuda optimizations and other loose ends

Base version is now v1.5

Fix for issue #145

This PR fixes the erroneous silent bail-out when the resnames of a file list are set to the basenames of the ligand pdbqt's when no such names are specified in the filelist text file.

Merge pull request #143 from ccsb-scripps/release

Bug fix for spurious receptor reading

Flexible sidechains, modified pairwise interactions, and better defau…

…lts.

Faster gradient evals and CUDA

paper Sep 2020, experiments 31-52