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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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102 Open 286 Closed
102 Open 286 Closed
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Issues list

Adding nonbonded fixes to a forcefield
#859 opened Oct 26, 2024 by CalCraven
Issue where LAMMPS saver converts type expressions in place
#857 opened Oct 14, 2024 by CalCraven
Add .mol2 writer conversions conversions of GMSO to and from other format good first issue Good for newcomers
#856 opened Oct 3, 2024 by chrisjonesBSU
2
Units handling
#853 opened Sep 26, 2024 by CalCraven
1
Implement rigid bodies for GSD writer. conversions conversions of GMSO to and from other format
#846 opened Sep 14, 2024 by chrisjonesBSU
1
@chrisjonesBSU
Add CHARMM par writer?
#845 opened Sep 13, 2024 by chrisjonesBSU
1
@CalCraven
1
Issue in element inference in readers
#841 opened Aug 26, 2024 by CalCraven
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
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