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CHANGELOG.md

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Change log

1.0RC5

  • Visualization of the depolarization paths becomes an option.

1.0RC4

  • GenIce no longer refers the files in the User global folder (.genice). Make them locally if necessary.
  • The way to define cell dimension is changed (lattices/*.py).
  • File loaders for analice tool are separated into a folder.
  • One can specify the size of the largest ring in rings and _ringstat plugins.

1.0RC3

  • Several exotic ices are added.

1.0RC2

  • Load and save multiple files (analice).

1.0RC1

  • Documents are updated.

1.0RC

  • Some functions for common use are separated into other packages. (PairList, etc)
  • Some plugins that require special libraries are separated into extra packages (vpython, cif, zeolite, svg).
  • New plugin hander that enables to implement extensions in separate packages.

0.24

  • Random noise is no logger added to the molecular positions by default. (Use --add_noise option instead.)

0.22 (stable, release)

  • Added AnalIce.

0.20.2, 0.20.3

  • Added --version option.
  • The version number is also shown in the usage.

0.20.1

  • Atomic unit is supported in mdview format.

0.19 (develop), 0.20

  • Added gromacs module as a lattice module in order to load a .gro file as an ice structure.
  • Added zeolite module as a lattice mofule.
  • Added cif module.
  • Added --asis option to use GenIce for file conversion.
  • Changed the default lattice repetition numbers from [2,2,2] to [1,1,1]

0.18

  • Direct graphical rendering with vpython.
  • Added polygonnal expression in yaplot output.
  • Added art examples for OpenSCAD format.

0.17

  • svg_poly module.

0.16

  • Ring phase statistics.
  • Radial Kirkwood G function.
  • Some plugins accept options using brackets.
  • Cell reshaper.
  • Added the current working path as a searchpath for the plugins.
  • Aeroice generator.
  • Accept the structure that does not obey the ice rules.

0.15.1

  • Bug fix in case the atomic number exceeds 100 000 in Gromacs format.

0.15

  • Simulation cell-related functions are separated to a module.

0.14

  • Adapted to NetworkX 2.

0.13

  • Regulated the value range of Euler's angles.

0.12

  • Aeroices are added.

0.11

  • Added "hooks" for the formats plugin.

0.10.6

  • Added some new ice structures.

0.10.5

0.10.4

  • Bug fix for ice 5.

0.10.3

  • Bug fix in format modules.

0.10.2

  • Bug fix.

0.10.1

  • Accept semiclathrates, ion doping, etc.

0.10.0

  • Accept hydrogen-ordered ices.

0.1

  • First release. (Jun. 25, 2015)