Skip to content

Releases: jamesrhester/CrystalInfoFramework.jl

v0.7.0

10 Oct 07:59
Compare
Choose a tag to compare

CrystalInfoFramework v0.7.0

Diff since v0.6.3

  • FilePaths has been removed. To open a CIF-formatted string, use new method cif_from_string(string). Legacy code using p"filename" or passing a FilePath.Path to the Cif constructor should still work.
  • The DataContainer submodule has been rearchitected and is still in flux.
  • Mac OS 14 users may have trouble. Please raise an issue if this is the case. MacOS 13 is fine.

Closed issues:

  • Possible error with fix_url when path contains a space (#11)

v0.6.3

18 Jan 06:14
Compare
Choose a tag to compare

CrystalInfoFramework v0.6.3

Diff since v0.6.2

  • Fixed bug when handling special characters in file paths during dictionary import

v0.6.2

07 Dec 08:13
Compare
Choose a tag to compare

CrystalInfoFramework v0.6.2

Diff since v0.6.1

  • DDL2 dictionary output bugs fixed
  • dREL method cache clearing bug fixed
  • DDLm dictionary output includes DDL2 compability attributes

v0.6.1

19 Sep 00:56
c543f13
Compare
Choose a tag to compare

CrystalInfoFramework v0.6.1

Diff since v0.6.0

  • fixed missing data names when writing out dictionary if parent category was not present
  • moved to modern precompilation

v0.6.0

07 Jun 10:16
Compare
Choose a tag to compare

CrystalInfoFramework v0.6.0

Diff since v0.5.3

v0.5.3

06 Jun 08:48
Compare
Choose a tag to compare

CrystalInfoFramework v0.5.3

Diff since v0.5.2

v0.5.2

16 Sep 10:15
8691ab7
Compare
Choose a tag to compare

CrystalInfoFramework v0.5.2

Diff since v0.5.1

  • Output bug fix: value '.' is output as . instead of '.', likewise for '?'

v0.5.1

16 Aug 02:40
2647949
Compare
Choose a tag to compare

CrystalInfoFramework v0.5.1

Diff since v0.5.0

v0.5.0

16 Aug 00:27
Compare
Choose a tag to compare

CrystalInfoFramework v0.5.0

Diff since v0.4.8

  • C parser from cif_api now automatically installed via cif_api_jll. This is faster for scripts that read a single CIF file
  • Julia parser now default. This is faster when more than one CIF file is read e.g. in an interactive session. To get C parser provide native=false option to Cif constructor
  • Improvements to CIF output formatting

Closed issues:

  • Distribute libcif with Julia's artifacts system (#7)

v0.4.8

07 Dec 03:55
1431140
Compare
Choose a tag to compare

CrystalInfoFramework v0.4.8

Diff since v0.4.7

  • Fixed import file path error