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- .gitlab-ci.yml 45 additions, 63 deletions.gitlab-ci.yml
- CHANGELOG.txt 55 additions, 0 deletionsCHANGELOG.txt
- CMakeLists.txt 13 additions, 17 deletionsCMakeLists.txt
- actions/ost-compare-ligand-structures 266 additions, 180 deletionsactions/ost-compare-ligand-structures
- actions/ost-compare-structures 76 additions, 8 deletionsactions/ost-compare-structures
- cmake_support/FindNumpy.cmake 0 additions, 31 deletionscmake_support/FindNumpy.cmake
- cmake_support/FindParasail.cmake 11 additions, 0 deletionscmake_support/FindParasail.cmake
- docker/Dockerfile 1 addition, 1 deletiondocker/Dockerfile
- examples/code_fragments/mm/ethanol_example_using_topology.py 1 addition, 1 deletionexamples/code_fragments/mm/ethanol_example_using_topology.py
- modules/base/doc/base.rst 15 additions, 0 deletionsmodules/base/doc/base.rst
- modules/base/doc/settings.rst 1 addition, 1 deletionmodules/base/doc/settings.rst
- modules/base/doc/table.rst 0 additions, 0 deletionsmodules/base/doc/table.rst
- modules/base/pymod/__init__.py.in 1 addition, 1 deletionmodules/base/pymod/__init__.py.in
- modules/base/pymod/table.py 2 additions, 1 deletionmodules/base/pymod/table.py
- modules/base/pymod/wrap_base.cc 0 additions, 1 deletionmodules/base/pymod/wrap_base.cc
- modules/bindings/doc/tmtools.rst 1 addition, 0 deletionsmodules/bindings/doc/tmtools.rst
- modules/bindings/pymod/dockq.py 0 additions, 4 deletionsmodules/bindings/pymod/dockq.py
- modules/config/CMakeLists.txt 5 additions, 6 deletionsmodules/config/CMakeLists.txt
- modules/config/config.hh.in 1 addition, 1 deletionmodules/config/config.hh.in
- modules/conop/doc/cleanup.rst 1 addition, 1 deletionmodules/conop/doc/cleanup.rst
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