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@leandromartinez98 leandromartinez98 released this Jun 18, 2018 · 7 commits to master since this release

  • Changed version file to 18.169
  • fixed reading of short_tol_scale if dist is set
  • simplified the code of minimum distance penalty
Assets 2

@leandromartinez98 leandromartinez98 released this Jun 15, 2018 · 10 commits to master since this release

  • Changed version file to 18.166
  • fixed reading of use_short_tol
Assets 2

@leandromartinez98 leandromartinez98 released this Jun 13, 2018 · 12 commits to master since this release

  • Changed version file to 18.164
  • added short_radius and short_radius_scale options
  • added short_tol_dist and short_tol_scale options
  • added fscale option
  • fixed typo in comments
Assets 2

@leandromartinez98 leandromartinez98 released this Apr 14, 2018 · 18 commits to master since this release

  • Changed version file to 18.104
  • correct format output for hetatm
  • prints atom numbers in hexadecimal format when greater than 99999 in PDB files
Assets 2

@leandromartinez98 leandromartinez98 released this Apr 13, 2018 · 21 commits to master since this release

  • Changed version file to 18.103
  • fixed initialization of nloop_type when there are fixed molecules
Assets 2

@leandromartinez98 leandromartinez98 released this Apr 7, 2018 · 23 commits to master since this release

  • Changed version file to 18.097
  • fixed bug in pdb output file writting when the pdb file has some remarks or comments. Thanks Stephan Schott for point it out.
  • Merge pull request #12 from susilehtola/master
  • Installation target directory.
  • Merge pull request #11 from susilehtola/master
  • Installation directive and script demonstrating usage of CMake.
  • Add CMake support.
  • changed link of page in readme.md
  • updated release.sh file to upload file to m3g page
Assets 2

@mcubeg mcubeg released this Jan 13, 2018 · 32 commits to master since this release

  • Changed version file to 18.013
  • changed le to lt in nloop and moved checkpoint to the end if loop >= nloop
  • added nloop0 option to set independently the number of loops of the initial phase packing
Assets 2

@mcubeg mcubeg released this Jan 8, 2018 · 35 commits to master since this release

  • Changed version file to 18.008
  • added safeguard for nloop/10 = 0 in initial
  • added the possibility of setting nloop independently for each type of molecule
Assets 2

@mcubeg mcubeg released this Jan 2, 2018 · 38 commits to master since this release

  • Changed version file to 18.002
  • fixed bug in using variable radii with fixed molecules (thanks to Martin Brehm for reporting)
  • just changed were radii are set
Assets 2

@leandromartinez98 leandromartinez98 released this Nov 29, 2017 · 41 commits to master since this release

  • Changed version file to 17.333
  • fixed bug in setting all_type_fx which affected printing of imperfect packings (thanks to Matias Machado for reporting).
Assets 2
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