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Filename: GaMD-scheme.jpg
Revision 1.1jim 2017/02/03 21:39:32None
Gaussian accelerated MD (GaMD) implementation by Andrew Pang and Yi Wang.

Filename: TI.eps

Revision 1.1jim 2016/10/07 16:14:21None Colvars update from Giacomo Fiorin and Jerome Henin.
- Parallel calculation of center-of-mass based variables
- Shared-memory parallel calculation of many variables (requires CkLoop)
- Change in ABF convention: PLEASE SEE http://colvars.github.io/README-totalforce.md
- Extended-system ABF method by the CZAR estimator
- Histogram calculation on ensembles of variables, with optional weights
- Probability distribution restraints
- Contributed variable types: dipoleAngle (Alejandro Bernardin), groupCoordNum (Alan Grossfield)
- Scripting command "cvcflags" to optimize performance of complex colvars
- Scripting commands getappliedforce to gettotalforce to implement thermodynamic integration-based methods
- Improved error handling in user input and Tcl scripts

Filename: colvars_diagram.pdf
Revision 1.2jim 2016/10/07 16:14:21+418 -428
Colvars update from Giacomo Fiorin and Jerome Henin.
- Parallel calculation of center-of-mass based variables
- Shared-memory parallel calculation of many variables (requires CkLoop)
- Change in ABF convention: PLEASE SEE http://colvars.github.io/README-totalforce.md
- Extended-system ABF method by the CZAR estimator
- Histogram calculation on ensembles of variables, with optional weights
- Probability distribution restraints
- Contributed variable types: dipoleAngle (Alejandro Bernardin), groupCoordNum (Alan Grossfield)
- Scripting command "cvcflags" to optimize performance of complex colvars
- Scripting commands getappliedforce to gettotalforce to implement thermodynamic integration-based methods
- Improved error handling in user input and Tcl scripts
Show difference between Revision 1.1 and 1.2


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