wiederm/endstate_correction

Issues

• Change the frequency of saving the trajectory

  #92 opened a year ago by xiki-tempula
  0

• save state and traj into a file

  #90 opened a year ago by xiki-tempula
  0

• The interplay between perform_endstate_correction and return_endstate_correction

  #89 opened a year ago by xiki-tempula
  2

• Create a conda package for endstate_correction

  #85 opened a year ago by xiki-tempula
  1

• Request for macOS Compatibility and Optional Dependency: Remove Conda Package nnops

  #82 opened a year ago by xiki-tempula
  1

• Adjust potential energy evaluation in NEQ switching and SMC protocol

  #83 opened a year ago by saratk1
  0

• When lambda=0 run the simulation without openmm-ml

  #78 opened a year ago by xiki-tempula
  2

• Refactor plotting function

  #56 opened 2 years ago by wiederm
  1

• Improve generate_samples function

  #52 opened 2 years ago by wiederm
  1

• About potential input files

  #41 opened 2 years ago by xiki-tempula
  4

• First pre-release candidate

  #44 opened 2 years ago by wiederm
  1