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Releases: m3g/packmol

v20.14.4

03 May 17:40
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  • fix doc typo.

20.14.4

23 Apr 12:18
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  • Changed version file to 20.14.4
  • update reference format and add DOI link
  • Merge pull request #57 from m3g/release-20.14.3

v20.14.3

23 Nov 17:12
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Full Changelog: v20.14.2...v20.14.3

v20.14.2

24 Apr 18:06
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  • Changed version file to 20.14.2
  • improve error for wrong file types

v20.14.1

04 Apr 14:41
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  • Changed version file to 20.14.1
  • bump version
  • remove release file
  • add signal routines
  • rename example -> testing
  • move signaling routines to new files
  • ignore output example files
  • add ieee_signaling example
  • do not compile GENCAN with --fast-math
  • fix safeguard for gpsupn
  • avoid some compiler warnings

v20.14.0

26 Jan 11:28
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  • Changed version file to 20.14.0
  • Merge pull request #48 from SSchott/master
  • Add amber_ter_preserve for mobile molecule types
  • update page in readme

v20.13.0

17 Jan 18:20
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  • Changed version file to 20.13.0
  • Merge pull request #45 from m3g/xygauss
  • update readme
  • remove docs from master
  • move docs to root
  • create test index.html file
  • Merge pull request #46 from SSchott/master
  • Merge branch 'master' into xygauss
  • Modified xygauss to avoid floating point exception
  • removed old rest assignmnet
  • add to f the result of xygauss below
  • copied xygauss changes to new dir structure
  • Merge remote-tracking branch 'upstream/master'
  • Merge remote-tracking branch 'upstream/master'
  • XYgauss gradient correction
  • XYgauss comprest+getinp
  • XYgauss surface

v20.12.0

02 Jan 20:40
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  • Changed version file to 20.12.0
  • configure compiler in make test
  • print current version
  • update readme
  • Merge pull request #44 from fedebenelli/FPM
  • fpm installation instructions
  • update scripts and readme file
  • Merge pull request #41 from fedebenelli/master
  • Merge pull request #42 from chenrui333/add-gcc-12
  • ci: update to use ubuntu-22.04/macos-12
  • ci: add gcc-12 support
  • added fpm compatiblity

v20.11.1

06 Dec 11:36
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Release 20.11.1

v20.11.0

10 Nov 12:49
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  • This release fixes versioning, because of previous 20.010 version.
  • Fixes #37 (comment).