To-do list

[kratman]

List of LICHEM features which are a work in progress:

• [ ] Theoretical background information has to be provided for all methods in LICHEM
• [ ] The NPT PIMC calculations do not appear to be giving correct densities and structures
• [ ] QMMM with diffuse charge density and the Gaussian Electrostatic Model (GEM) needs to be completed and released
• [ ] The Monte Carlo routines need to be more thoroughly tested. These include classical Monte Carlo (NVT/NPT), PIMC (NVT/NPT), and force-bias Monte Carlo (NVT)
• [ ] The LAMMPS wrapper needs to be completed and tested
• [ ] The reaction pathway routines need to be publicly released