Version 21.2.1

• Avoid looping above maxkeywords in input file reading of radii.

Version 21.2.0

• : Add ignore_conect and non_standard_conect options. The first
  will just make packmol ignore all CONECT lines. The second will use a non-standard reading of the
  lines, in which the atom indices are expected to be separated by spaces. The default is ignore_conect = .false.
  and non_standard_conect = .false., such that the CONECT lines are not ignored and the standard PDB
  format is expected.

Version 21.1.4

• add test to pipy distribution.

Version 21.1.3

• update authors on pip distribution.

Version 21.1.2

• add pip install packmol installation option.
• The release.sh script was renamed to update_version.sh and just updates version numbers in the files, without tagging a release.

Version 21.1.1

• Update minimum CMake compatibility to 3.5.0.
• Add a remark to what is written as CRYST1 information when no-PBCs are used. Suggest using PBCs Fixes 103. Update the documentation accordingly.

What's Changed

• specify input and output files by command-line arguments by @misael-diaz in #101

New Contributors

• @misael-diaz made their first contribution in #101

Full Changelog: v21.0.4...v21.1.0

• Changed version file to 21.0.4
• Merge pull request #99 from Eigenstate/initial-coordinates
• Fix infinite loop guessing initial coordinates

What's Changed

• Fix possible infinite loop guessing initial coordinates by @Eigenstate in #99

Full Changelog: v21.0.3...v21.0.4

• Changed version file to 21.0.3
• Merge pull request #98 from Eigenstate/initialize-maxmove
• Initialize maxmove variable for all file types.
• remove space
• document the runtests.jl script execution

What's Changed

• Initialize maxmove input variable for all file types by @Eigenstate in #98

Full Changelog: v21.0.2...v21.0.3

What's Changed

• Update setup-fortran action by @awvwgk in #95
• fix type output of iftype molecule in error message by @lmiq in #96

New Contributors

• @awvwgk made their first contribution in #95

Full Changelog: v21.0.1...v21.0.2