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15 Open 41 Closed
15 Open 41 Closed
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Issues list

Visualize systems with topology information only enhancement New feature or request
#139 opened Dec 19, 2024 by Bernadette-Mohr
@Bernadette-Mohr
1
Improve Gromacs input parameter parsing further
#129 opened Sep 13, 2024 by JFRudzinski
GROMACS parsing issue
#118 opened Aug 6, 2024 by Bernadette-Mohr
@JFRudzinski @Bernadette-Mohr
1
Support for Umbrella Sampling Calculations in NOMAD delay to new parser plugins enhancement New feature or request
#103 opened Apr 8, 2024 by Bernadette-Mohr
1
@Bernadette-Mohr
Errors from pyiron lammps log
#100 opened Mar 26, 2024 by JFRudzinski
1
@JFRudzinski
1
Lammps processing error atom index out of range
#90 opened Jan 24, 2024 by JFRudzinski
3
Lammps workflows not recognized
#89 opened Jan 19, 2024 by JFRudzinski
Convert Lammps tests to native units
#88 opened Jan 19, 2024 by JFRudzinski
Convert Gromacs tests to native units delay to new parser plugins
#87 opened Jan 19, 2024 by JFRudzinski
Lammps tests failing with split output files
#74 opened Nov 7, 2023 by JFRudzinski
@JFRudzinski
Tinker workflows
#60 opened Aug 16, 2023 by ladinesa
@ladinesa
MD support for all relevant parsers delay to new parser plugins
#55 opened Jul 25, 2023 by JFRudzinski
Minimize test data size delay to new parser plugins
#30 opened Jan 10, 2023 by JFRudzinski
@JFRudzinski
Add support for Hoomd-blue delay to new parser plugins
#15 opened Nov 23, 2022 by JFRudzinski
@JFRudzinski
Lammps should check input file directly when quantities are printed to log file backlog Issue not currently being worked on, and no plans for efforts in the near future enhancement New feature or request
#4 opened Aug 24, 2022 by JFRudzinski
3
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