aephil/WeLD

Issues

• Small but noticeable fluctuations in total energy

  #40 opened 3 years ago
  0

• Continually calculate total energy

  #37 opened 3 years ago
  0

• Weird behaviour with spring potential

  #33 opened 3 years ago
  1

• missing forces due to overwriting: restore calculation of total force

  #32 opened 3 years ago
  0

• Test Lennard-Jones potential

  #31 opened 3 years ago
  5

• Velocities should be properly initialised to 0

  #30 opened 3 years ago
  5

• Initiated testing. Do you have any suggestions

  #29 opened 3 years ago
  1

• Spring restorative force increasing over time

  #28 opened 3 years ago
  9

• Complete test cases for valenceAngle function

  #27 opened 3 years ago
  3

• Next steps

  #25 opened 3 years ago
  7

• See https://github.com/aephil/WeLD/issues/25 instead

  #24 opened 3 years ago
  1

• Code not running in certain environments

  #22 opened 3 years ago
  1

• Add a unit testing framework

  #20 opened 3 years ago
  2

• Need to verify that the valence force is behaving correctly

  #19 opened 3 years ago
  23

• Rewrite in TypeScript

  #18 opened 3 years ago
  4

• Strange behaviour from harmonic potential on the velocity_verlet branch

  #16 opened 3 years ago
  5

• Remove deprecated code

  #10 opened 3 years ago
  0

• use Velocity Verlet algorithm with timestep and Potential

  #6 opened 3 years ago
  1

• unstable spring constant physics

  #3 opened 3 years ago
  0