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27 Open 104 Closed
27 Open 104 Closed
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Issues list

Unable to install
#205 opened Feb 9, 2023 by kiranvad
Update python CI testing version testing Unit-, or otherwise
#204 opened Jan 27, 2023 by mortele
Numpy >=1.24 breaks install compilation of fortran codes due to non-UTF-8 characters bug Something isn't working
#202 opened Jan 26, 2023 by mortele
1
@mortele
HyMD profiling good first issue Good for newcomers optimization Make code go brrrr
#201 opened Oct 18, 2022 by hmcezar
API reference documentation inaccurate documentation Improvements or additions to documentation
#192 opened Aug 9, 2022 by samiransen23
1
Improve documentation of dihedrals documentation Improvements or additions to documentation enhancement New feature or request
#180 opened May 11, 2022 by hmcezar
@Lun4m
ValueError for prepare bonds bug Something isn't working
#175 opened May 2, 2022 by hmcezar
1
Move protein backbone dipole declarations cleanup ...on aisle seven
#173 opened Mar 23, 2022 by Lun4m
@Lun4m
Change the way the Hamiltonian is specified cleanup ...on aisle seven enhancement New feature or request refactor Code rewrite
#170 opened Mar 11, 2022 by mortele
Install non-Python dependencies with dnf JOSS-review Issues pertaining to the JOSS review
#157 opened Feb 10, 2022 by yhtang
@mortele
5
Documentation for SquaredPhi Hamiltonian shows an incorrect expression documentation Improvements or additions to documentation invalid This doesn't seem right
#156 opened Feb 9, 2022 by mortele
compute_field_and_kinetic_energy accepts a bunch of unused paramters cleanup ...on aisle seven
#145 opened Jan 5, 2022 by mortele
@mortele
Copying arrays in update field cleanup ...on aisle seven optimization Make code go brrrr refactor Code rewrite
#132 opened Nov 17, 2021 by Lun4m
Replace type based connectivity with index based connectivity enhancement New feature or request refactor Code rewrite
#126 opened Oct 5, 2021 by Lun4m
1
1
--double-precision is not applied correctly bug Something isn't working
#102 opened May 14, 2021 by mortele
1
Too small n_particles in config causes particles to be omitted bug Something isn't working
#96 opened May 5, 2021 by mortele
@mortele
1
Bonded terms calculation for super long molecules (e.g. polymer or DNA) ? enhancement New feature or request
#89 opened Apr 22, 2021 by xinmeng2020
1
Fix the MPI test for the CSVR thermostat in test_thermostat testing Unit-, or otherwise
#88 opened Apr 21, 2021 by mortele
@mortele
2
Support differing masses in .HDF5 input enhancement New feature or request
#85 opened Apr 19, 2021 by mortele
1
hdf_to_gro.py is not working bug Something isn't working
#80 opened Apr 17, 2021 by mortele
Make HyMD output valid HyMD input enhancement New feature or request
#79 opened Apr 17, 2021 by mortele
3
Clean up the function calls to domain_decomposition from main refactor Code rewrite
#73 opened Apr 9, 2021 by mortele
6
hdf_to_gro.py is very slow due to heavy file read load bug Something isn't working enhancement New feature or request
#42 opened Mar 23, 2021 by mortele
@mortele
Split chi energy and kappa energy in H5MD output enhancement New feature or request
#30 opened Mar 22, 2021 by mortele
@mortele
Specify version numbers in requirements file bug Something isn't working enhancement New feature or request
#20 opened Mar 19, 2021 by mortele
@Lun4m
4
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