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Issues: mosdef-hub/gmso

External support
#7 opened Feb 3, 2019 by mattwthompson
Open 1
File format support
#6 opened Feb 3, 2019 by mattwthompson
Open 3
Potential term support
#31 opened Feb 13, 2019 by ahy3nz
Open 2
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96 Open 284 Closed
96 Open 284 Closed
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Issues list

Add python 3.12 to tests and environment
#818 opened May 1, 2024 by chrisjonesBSU
1
Support for non-element for GROMACS writer bug Something isn't working core feature enhancement New feature or request writer writer related
#817 opened Apr 12, 2024 by daico007
5
Potential Issue with GROMACS gro writer
#773 opened Oct 10, 2023 by daico007
HOOMD Forcefield compatibility issues
#767 opened Sep 21, 2023 by CalCraven
Issue with writing virtual sites via a lone pair
#755 opened Aug 8, 2023 by CalCraven
3
Error when writing/converting foyer to gmso xml files
#753 opened Aug 2, 2023 by bc118
2
Add support to write out rigid water for GROMACS
#726 opened May 9, 2023 by daico007
@daico007
1
gmso FF periodic dihedrals and impropers yield a unyt_quantity or unyt_array
#695 opened Sep 16, 2022 by bc118
About automating consolidation of parameters while using GMSO ForceField XML.
#674 opened Jul 5, 2022 by umesh-timalsina
Discussion on long term changes for GMSO-MoSDeF workflows
#672 opened Jul 1, 2022 by CalCraven
Decision on handling epsilon, sigmas, charge location/equation, and finalizing the standard equation formats
#616 opened Dec 16, 2021 by bc118
1
Add a test that ensures that the tags, if empty, return an empty list?
#603 opened Oct 21, 2021 by justinGilmer
Infer extra AtomType attributes using ForceField while converting from parmed best-practice core feature
#597 opened Sep 23, 2021 by umesh-timalsina
@umesh-timalsina
Add fixed bonds and angles variable/info to xml files, and LJ/could short-range cutoffs?
#590 opened Sep 2, 2021 by bc118
2
Limiting, comparing LJ/Mie/Exp6, electrostatic, bond, angle, dihedral, and improper expressions?
#582 opened Aug 12, 2021 by bc118
Use molbox for box implmentation enhancement New feature or request
#563 opened Jun 29, 2021 by umesh-timalsina
1
@umesh-timalsina
Parmed -> GMSO loses layered dihedrals bug Something isn't working conversions conversions of GMSO to and from other format
#561 opened Jun 25, 2021 by rsdefever
1
@umesh-timalsina @justinGilmer
1
Sample Test Systems question Further information is requested testing
#555 opened Jun 18, 2021 by umesh-timalsina
@umesh-timalsina
1
Should default values for LJ parameters assumed when creating new AtomType? attention Something to take note of best-practice discussion good first issue Good for newcomers question Further information is requested
#509 opened Feb 20, 2021 by rsdefever
Single molecule force fields discussion enhancement New feature or request
#507 opened Feb 11, 2021 by rsdefever
3
ForceField Class Enhancements good first issue Good for newcomers low priority low priority or on a longer timeline
#499 opened Jan 29, 2021 by umesh-timalsina
Additional Site Variants enhancement New feature or request
#495 opened Jan 19, 2021 by umesh-timalsina
@CalCraven
Visual validation tool for checking to see if an object is fully parameterized enhancement New feature or request visualization
#486 opened Nov 12, 2020 by CalCraven
@CalCraven
Add unit test that confirms performance on large system
#473 opened Oct 15, 2020 by rsdefever
@rmatsum836
5
Joining multiple topologies together
#463 opened Oct 2, 2020 by uppittu11
2
ProTip! no:milestone will show everything without a milestone.