SSAGES v0.9.3 alpha

What's New (v0.9.3)

• Numerous improvements to the GROMACS hook
• New Qbox examples
• Support for newer LAMMPS versions
• Engine version is now logged
• ANN and CFF schemas now include a CVs section
• Source cleanup: Fetching external dependencies at build time
• Other minor source cleanup changes

SSAGES v0.9.2 alpha

What's New (v0.9.2)

• Critical bug fix for patching Eigen with GROMACS
• Correction to gradient of AngleCV
• Additional checks and docs for multiwalker loggers
• Support newer LAMMPS versions
• Minor source cleanup

SSAGES v0.9.1 alpha

What's New (v0.9.1)

• Critical bug fix for neural-network based methods
• Updated Eigen dependency to v3.3.7
• Many documentation improvements
• Support for newer HOOMD versions (2.6+)
• Build process fixes

SSAGES v0.9.0 alpha

What's New (v0.9.0)

• New Combined Force–Frequency sampling method
• Addition of non-weighted internal center of mass calculation
• Documentation additions
• New ANN-based collective variable

SSAGES v0.8.6 alpha

What's New (v0.8.6)

• New RMSD Collective Variable
• Improved Qbox examples
• Standardized test suite
• Improved documentation
• Addition of Travis-CI testing
• General code cleanup and bugfixes (See commits)

SSAGES v0.8.5 alpha

What's New (v0.8.5)

• Improved Elastic Band Sampling
• Temporary removal of GROMACS 2019
• Additional Documentation
• General code cleanup and bugfixes (See commits)

SSAGES v0.8.4 alpha

What's New (v0.8.4)

• Major documentation updates!
• Improved HOOMD-blue support
• ANN restarts
• Python script for Metadynamics example
• Support for newer GROMACS versions (up to 2019.1)
• Several bugfixes (See commits)

SSAGES v0.8.3 alpha

What's New (v0.8.3)

• HOOMD-blue support!
• Support for newer GROMACS and LAMMPS versions
• CV definition checking for Methods
• Documentation updates
• Several bugfixes (See commits)

SSAGES v0.8.2 alpha

What's New (v0.8.2)

• Grid internal updates
• ABF Integrator handles interpolation in each direction independently
• ABF restarts now handled with JSON member
• GyrationTensorCV can be projected into any number of dimensions
• Documentation updates
• Several bugfixes (See commits)

SSAGES v0.8.1 alpha

What's New (v0.8.1)

• GROMACS support for all 5.1.x, 2016.x, 2018.x!
• Better CMake handling for Hooks
• Handling of LAMMPS line continuations (&)
• Correct handling of multiprocessor ABF method
• BFS method cleanup
• Minor documentation updates
• Eigen include update (3.3.4)
• googletest include update (1.8.0)
• jsoncpp include update