cmelab/planckton-flow

Issues

• Add parameter for pack and stack initializations

  #34 opened 2 years ago by chrisjonesBSU
  0

• HOOMD_WALLTIME_STOP variable not working as expected

  #33 opened 3 years ago by chrisjonesBSU
  1

• Units of distance in job document not clear.

  #31 opened 3 years ago by JimmyRushing
  3

• Add n_frames gsd to parameters

  #30 opened 3 years ago by jennyfothergill
  0

• Make sampled job label not rely on opening every gsd file

  #24 opened 3 years ago by jennyfothergill
  0

• Mixtures broken?

  #22 opened 3 years ago by jennyfothergill
  0

• Allow custom forcefield to be used in planckton-flow

  #21 opened 3 years ago by gwenwhite
  3

• Difficulty finding jobs by "input" and "density"

  #14 opened 3 years ago by rejrice1
  6

• init file n_compounds accepting floats as inputs

  #12 opened 3 years ago by bryaniswright
  2

• planckton-flow does not work with SMILES strings as inputs

  #17 opened 3 years ago by chrisjonesBSU
  0

• Instructions should mention and explain shell scripts

  #2 opened 3 years ago by jennyfothergill
  1

• track TPS and total time in job doc

  #9 opened 3 years ago by jennyfothergill
  0

• Restart logic not implemented

  #5 opened 4 years ago by jennyfothergill
  0

• Need a function to get ref values from the force field

  #1 opened 4 years ago by jennyfothergill
  0

• only support parameter entry in reduced units

  #3 opened 4 years ago by jennyfothergill
  0