Related Issues (20)
- Interactions between the Simulation and the Analysis module HOT 2
- Does all simulation steps needs to have all the simulation information ? HOT 1
- Check preconditions in Thermostats
- Append mode for outputs
- Interaction with topologies: add selections
- More analysis functions
- Input files for simulations and potentials
- Bugs in units conversions
- Add logging facilities
- Use a lookup in a table to save time in potential computations ? HOT 6
- Wrap Chemharp to Julia, and use it for IO HOT 11
- Improve tests coverage
- On 0.4, countlines() now counts empty lines by default HOT 1
- Why julia is not the right language? HOT 3
- Guess cell type and size when reading trajectories
- More generic propagator HOT 2
- Add commons potentials HOT 2
- Thermostating and barostating
- Verlet Lists
- Long-range interactions HOT 1
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