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This repository has been archived by the owner on Sep 27, 2021. It is now read-only.

v2021-rc.1

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@votca-bot votca-bot released this 15 Jan 23:41
  • remove topology item (#486)
  • switch to local includes (#487)
  • add default units to readers (#483)
  • update bead related classes (#475, #474, #469, #468, #460)
  • update boundary class (#457)
  • fix usage of PROJECT_SOURCE_DIR in cmake (#517)
  • document cmake options and packages (#520)
  • drop WITH_GMX in cmake in favor of auto-detect (#523)
  • standardising include order and style in header files (#531)
  • make scripts always executable in builddir (#533, #550, #556)
  • rename REGRESSIONTEST_TOLERANCE to INTEGRATIONTEST_TOLERANCE (#534)
  • standardising include order and style in library files (#542)
  • move CI to GitHub Ations (#551, #552, #553, #561, #562, #593, #617,
    #632)
  • format CMake internal cpp code (#557)
  • update codacy badge (#558)
  • convert markdown to rst format (#559)
  • read units stored in H5MD file (#549)
  • enable CXX only in CMake (#560)
  • refactored tests to use files instead of data in source code (#572)
  • corrected max index in csg_resample (#575)
  • add periodic extrapolation for dihedrals (#576)
  • bump required CMake version to 3.12 (#599)
  • Fixed boost test deprecation warnings (#598)
  • improve error message for broken binaries (#601)
  • Fixed memory leaks in tests and neighbourlist (#602)
  • format with clang-11 (#604)
  • use unique_ptr in factory (#603)
  • Convert remaining md files to rst (#616)
  • merge csg-manual (#621, #622)
  • merge in csgapps repo (#623)
  • Pdbs with more than 10000 resids can now be written (#627)