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Crystalmaker export cif
Crystalmaker export cif











crystalmaker export cif

Fixed a regression in v3.5.3 that wrong (larger) value of multiplicity of a site was displayed due to too strict comparison of coordinates.Enabled to export coordination polyhedra, crystal shape, and isosurfaces to *.stl file.Enabled to use cyclic color scheme when coloring isosurfaces by phases.Fixed a regression in v3.5.3 and v3.5.4 that d-spacing of lattice planes were not correctly shown in dialog boxes.(Restored the MADEL program missing since ver. Fixed an issue that calculation of site potentials and Madelung energy failed on Linux since ver.Enabled to read 2nd and subsequent volumetric data in the XSF files.

CRYSTALMAKER EXPORT CIF ISO

  • When exporting cif files, write '?' instead of values of U iso/ B iso if they are not changed from their default value 0.
  • crystalmaker export cif

    Changed the default value of U iso/ B iso to 0 and the default type to U iso.Fixed crash on Linux when specifying a transformation matrix with its determinant 0.Fixed a bug that the sign of electronic potential-energy densities v(r) was flipped.Fixed crash when reading some of PDB, XSF, and VASP files.Updated the wxWidgets library to the latest version.Fixed a bug that d-spacing of hkl plane was not updated correctly, again.Fixed a bug that breaks geometry of structural models after calculating dihedral angles.Improved support for SHELX format and *.fcf format.When selecting a polyhedron, bond distances are now listed in ascending order.Fixed a bug that B_ij in CIF files were interpreted as beta_ij.were interpreted to overlap with another site and weren't displayed since v3.5.4. Fixed a bug in the Windows version that some of states in the 2D Data Display didn't reproduce when reopening *.vesta files.Fixed a bug that wrong structure factors were calculated in some cases due to erroneous multi-threading control.Fixed a bug that deleted objects reappeared when reopening *.vesta files since v3.5.6.













    Crystalmaker export cif