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Releases: aflow-org/aflow

v4.0.5

18 Jun 18:43

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Changes:

  • added input check in kpath generation (SD)
  • fixed bug in compare2prototypes (HE)

v4.0.4

11 Jun 20:34

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Changes:

  • added https support to API requests (HE)
  • added clang-format and clang-tidy presets (ST)
  • added DIELECTRIC VASP runs (SD)
  • fixed issues with equations for rhombohedral prototypes (DH)
  • added a class serialization system (ST+NA)
  • adopted list initialization (ST)
  • added base rendering for xstructures with x3d (HE)
  • added soliquidy (HE)
  • improved substring search in files (SD)
  • improved substring2string performance (SG)
  • updated how the aflow prototype library is included in aflow (HE)
  • updated XPLUG (SD)
  • use openssl for hashing functionality (HE)
  • switched system calls with libarchive for compression tasks (HE+SD)
  • replaced aflow_data with compressed files directly embedded in aflow (HE)
  • switched to std::filesystem (SD)
  • removed old style template instantiation (HE)
  • extended JSON capabilities like join and deque & set support (HE)
  • added import capabilities of LAMMPS data (SD)
  • added export for IAP generation (SD)
  • added unit tests for kpath (AZ)
  • added unit tests for surface geometry (ST)
  • implemented the xyzf format for the ChIMES code (SD)
  • switched to cmake build system (HE)