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Commits on Sep 25, 2017

• space-groups.txt: correct Hall symbol for C -4 2 b

  wojdyr

  authored
  338c88a

Commits on Aug 21, 2017

• Fix make install regression with element data

  bbucior

  committed
  a3db124

Commits on Jul 6, 2017

• Remove old isotope data files

  baoilleach

  committed
  f6f84d4

• Remove previous element table

  baoilleach

  committed
  fcf60e7

Commits on Jun 12, 2017

• Merge pull request openbabel#1576 from baoilleach/workingimph

  Show description for 172fc44
  ghutchis

  authored
  172fc44

Commits on May 19, 2017

• Get phmodel test to pass

  Show description for 01fe446
  baoilleach

  committed
  01fe446

Commits on Apr 26, 2017

• Correctly deal with alternate origin, added tests

  

  Sasha Fonari

  committed
  9ab6191

Commits on Mar 11, 2017

• Don't try to install aromatic.txt as it has been deleted

  baoilleach

  committed
  5e65e21

Commits on Feb 26, 2017

• Change AromaticTyper to use switch statement instead of SMARTS lookup

  baoilleach

  committed
  c196813

Commits on Jan 17, 2017

• Merge pull request openbabel#367 from psavery/space-groups-fixed

  Show description for 1b55749
  ghutchis

  authored
  1b55749

Commits on Jan 8, 2017

• Fixed a few errors in space-groups.txt

  Show description for 7534c46
  psavery

  committed
  7534c46

Commits on Dec 6, 2016

• removed pattern overriding hypervalence of nitro

  Show description for 259200c
  ntropia2

  authored
  259200c

Commits on Sep 12, 2016

• Updated proposed change

  Show description for b1bea58
  ntropia2

  authored
  b1bea58

• Updated proposed change

  Show description for 4368fb1
  ntropia2

  authored
  4368fb1

• Added line for -NO2 group

  Show description for 98b4fbc
  ntropia2

  authored
  98b4fbc

Commits on Jun 9, 2016

• Add element abbreviations and names for 113, 115, 117, 118

  Show description for bb634e9
  ghutchis

  committed
  bb634e9

Commits on Mar 30, 2016

• Merge branch 'master' of github.com:openbabel/openbabel

  ghutchis

  committed
  5e6c4f0

• Add dative NO2 fragment

  ghutchis

  committed
  f96de61

• Merge pull request openbabel#289 from dspoel/master

  Show description for 641694d
  ghutchis

  committed
  641694d

Commits on Mar 26, 2016

• Added support for As, Ge and Se in obthermo.

  Show description for 0aaba24
  dspoel

  committed
  0aaba24

Commits on Mar 15, 2016

• Merge pull request openbabel#278 from mmghahremanpour/master

  Show description for 204f9dc
  ghutchis

  committed
  204f9dc

Commits on Mar 14, 2016

• Merge pull request openbabel#275 from ntropia2/master

  Show description for 43a7618
  ghutchis

  committed
  43a7618

• Merge pull request openbabel#1 from openbabel/master

  Show description for 06cbe24
  mmghahremanpour

  committed
  06cbe24

• gaff.prm and bondtyp.txt are updated in order to reproduce the atom types based on the Wang et al. Vol. 25, No. 9 . Journal of computational Chemistry. 2004

  

  mohammad-ghahremanpour

  committed
  4182dcb

Commits on Mar 12, 2016

• Added an extra line to the end of space-groups.txt which allows the parser to find the last spacegroup. Also added a little more needed flexibility when identifying a spacegroup via a string in spa…

  Show description for fdbfd04
  psavery

  committed
  fdbfd04

• Modified to recognize both azide ion and group

  Show description for d768dd5
  ntropia2

  committed
  d768dd5

Commits on Mar 11, 2016

• Further modified azide models, preventing detaching

  Show description for 161ea9c
  ntropia2

  committed
  161ea9c

Commits on Mar 10, 2016

• Updated azide entry to fix fragmentation

  Show description for a18dc6d
  ntropia2

  committed
  a18dc6d

Commits on Feb 18, 2016

• bondtyp.txt

  

  mohammad-ghahremanpour

  committed
  1c896a5

• bondtyp.txt

  

  mohammad-ghahremanpour

  committed
  ad2fb11

Commits on Feb 9, 2016

• Add another settings for 167 group

  

  afonari

  authored and

  ghutchis

  committed
  ccecd1c

• Add another settings for 166 group

  

  afonari

  authored and

  ghutchis

  committed
  3550d88

Commits on Feb 5, 2016

• Add space group definitions

  afonari

  committed
  b624510

• [PATCH] New gaff.prm atomtyp.txt bondtyp.txt

  

  mohammad-ghahremanpour

  committed
  f766148

Commits on Jan 29, 2016

• Merge branch 'master' of github.com:openbabel/openbabel into allow-ring-rotamers

  ghutchis

  committed
  281d6db

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