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38 Open 34 Closed
38 Open 34 Closed
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Issues list

Feature to control max bondlength for specific atom names enhancement
#78 opened Jan 29, 2024 by khavernathy
add impropers to default bond parameters detection enhancement
#73 opened Jun 11, 2019 by khavernathy
2
lammps write bond/angle information enhancement
#72 opened Jun 11, 2019 by khavernathy
1
make option for individual function datafiles enhancement
#70 opened Oct 1, 2018 by khavernathy
make output for user-selected pair energies enhancement
#68 opened Aug 15, 2018 by khavernathy
long range polarization force enhancement
#67 opened Aug 11, 2018 by khavernathy
box dynamics enhancement
#65 opened Jun 20, 2018 by khavernathy
make element determination function more selective enhancement
#64 opened May 30, 2018 by khavernathy
OpenMP for bonded energy/forces enhancement
#63 opened May 19, 2018 by khavernathy
1
do ewald ES energy for periodic optimization, too enhancement
#62 opened May 19, 2018 by khavernathy
MSD/diffusion calc bug enhancement
#60 opened Apr 28, 2018 by khavernathy
2
add Si, Cd UFF4MOF params enhancement
#59 opened Apr 18, 2018 by khavernathy
add surface dynamics (turn on pbc on one side) enhancement
#58 opened Apr 5, 2018 by khavernathy
add Henry coefficient calculator to uVT sims enhancement
#56 opened Feb 15, 2018 by khavernathy
add RK4 integration for MD enhancement
#53 opened Feb 14, 2018 by khavernathy
1
clean unsigned int != int for gdb compilation. enhancement
#52 opened Jan 17, 2018 by khavernathy
Tang-Toennies forces on GPU enhancement
#47 opened Nov 21, 2017 by khavernathy
1
Tang-Toennies iterative mixing rules enhancement
#46 opened Nov 21, 2017 by khavernathy
add exchange/swap movetype in MC enhancement
#44 opened Nov 17, 2017 by khavernathy
optimize GPU force; match GPU force w/CPU force in all cases bug enhancement
#40 opened Nov 14, 2017 by khavernathy
1
mods to restart mode bug enhancement
#39 opened Nov 10, 2017 by khavernathy
1
rigid rotational contribution to temperature enhancement
#35 opened Oct 30, 2017 by khavernathy
refactor force computation for ES enhancement
#31 opened Oct 10, 2017 by khavernathy
add non-LB mixing rules enhancement
#27 opened Aug 24, 2017 by khavernathy
gravitational md enhancement
#25 opened Aug 23, 2017 by khavernathy
ProTip! Exclude everything labeled bug with -label:bug.