MigrationGuide0310

ERmod 1.0 is a major release. Most of the program should be unchanged.

• The program is now based on Python3, Fortran 2008+ and C90.
• The program to calculate the distribution function is now renamed to erdst (from previous ermod). Previous users should be able to keep using ermod (a symlink to erdst will be created upon installation)
• Format changed for MolPrmX and SltConf.
• Format changed for engsln and engref
• Tools for following MD software packages are removed:
  • MARBLE
  • MODYLAS
• Tools for following MD software packages have no active maintainer in dev team. We decided to explicitly tell users that maintenance is less active (bug reports are welcome!)
  • NAMD
  • CHARMM
• slvfe now checks the consistency between soln and refs.
• The repository will move to git (WIP)