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Pull requests: marrink-lab/vermouth-martinize

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Pull requests list

Repair mod2
#78 by jbarnoud was merged Apr 24, 2018 Loading…
6 🎉 1
Prototype for blocks and links plus RTP parser
#1 by jbarnoud was merged Oct 26, 2017 Loading…
56
Added grappa: the graph string parser
#20 by Tsjerk was merged Dec 14, 2017 Loading…
39
Add support for Martini 2.2 P WIP
#53 by jbarnoud was merged Mar 12, 2018 Loading… Reproduce functionality from current Martinize
1
28
Ignore unknown elements in make_bonds
#38 by jbarnoud was merged Jan 18, 2018 Loading…
1
Add a force field class
#32 by jbarnoud was merged Jan 18, 2018 Loading…
6
Get rid of old and unused code
#81 by pckroon was merged May 15, 2018 Loading…
2
Add more informative error messages.
#63 by jbarnoud was merged Mar 26, 2018 Loading…
Read proper and improper dihedrals separatly
#58 by jbarnoud was merged Mar 20, 2018 Loading…
4
Graph util tests
#96 by pckroon was merged Sep 3, 2018 Loading…
19
Make PDB writer write correct CONECT records for multiple molecules
#106 by pckroon was merged Sep 12, 2018 Loading…
8
Update .travis.yml
#118 by pckroon was closed Sep 26, 2018 Loading…
1
Update deprecated option for sphinx 1.8.0
#108 by jbarnoud was closed Sep 13, 2018 Loading…
Setup logging
#112 by pckroon was merged Sep 25, 2018 Loading…
4 of 5 tasks
26
Reduce the problem size in test_gro hypothesis tests
#110 by jbarnoud was merged Sep 13, 2018 Loading…
1
Update sphinx to 1.8.0
#109 by pckroon was merged Sep 13, 2018 Loading…
[WIP] Makes Pylint happier WIP
#90 by jbarnoud was closed Jun 27, 2018 Loading…
1
Add coverage and CodeCov
#88 by pckroon was merged Jun 18, 2018 Loading…
3
Martini3
#86 by jbarnoud was merged Jun 14, 2018 Loading…
1
Coverage
#89 by pckroon was merged Jun 18, 2018 Loading…
Isomorph mapping ready for merge
#82 by pckroon was merged Jun 14, 2018 Loading…
3 tasks done
@pckroon
5
fix-137, remove node functionality editted.
#157 by NanduTej was merged Nov 14, 2018 Loading…
40
Add __str__ to Molecule ready for merge
#196 by pckroon was merged Sep 13, 2019 Loading…
1
10
New mapping file format and associated processor overhaul ready for merge
#172 by pckroon was merged Sep 13, 2019 Loading…
5 of 8 tasks
4
@jbarnoud
122
Add constraint propagation to ISMAGS ready for merge
#199 by pckroon was merged Sep 13, 2019 Loading…
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