Update Colvars to version 2017-10-11
Notable features are the umbrella-integration based free energy estimator for eABF, and the traditional thermodynamic integration estimator now available for umbrella sampling, SMD, metadynamics. Also included are several small fixes. Below is a list of relevant commits in the Colvars repository since the last update. 321d06a 2017-10-10 Add macros to manage colvarscript commands [Giacomo Fiorin] 26c3bec 2017-10-09 Document coming availability of Lepton in LAMMPS [Giacomo Fiorin] cc8f249 2017-10-04 Clarify that SMP depends on code build [Giacomo Fiorin] 0b2ffac 2017-10-04 Summarize colvar definition options, clarify some details [Giacomo Fiorin] 28002e0 2017-10-01 Separate writing of restart file from other output (e.g. PMFs) [Giacomo Fiorin] 92f7c1d 2017-10-01 Deprecate colvarsTrajAppend [Giacomo Fiorin] 12a707f 2017-09-26 Accurate Jacobian calculation for RMSD variants [Jérôme Hénin] fe389c9 2017-09-21 Allow subtractAppliedForce with extended-L again [Jérôme Hénin] c050ce0 2017-09-18 Silence compiler warnings, remove Tabs [Giacomo Fiorin] cb41905 2017-01-11 Add base class for TI estimator in other biases than ABF [Giacomo Fiorin] a1bc676 2017-09-14 Avoid writing to unopened traj file [Jérôme Hénin] b58d8cd 2017-09-08 Function to check for overlapping groups [Jérôme Hénin] 1e5efec 2017-09-07 Check for overlapping groups in coordNum [Jérôme Hénin] 03a61a4 2017-04-06 Add UI-based estimator [fhh2626] ae43754 2017-08-17 Fix outputCenters parsing [Josh Vermaas] 1619e0e 2017-08-14 Delete static feature arrays in cvm destructor [Jérôme Hénin]
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- doc/src/PDF/colvars-refman-lammps.pdf 0 additions, 0 deletionsdoc/src/PDF/colvars-refman-lammps.pdf
- lib/colvars/Makefile.common 1 addition, 2 deletionslib/colvars/Makefile.common
- lib/colvars/Makefile.deps 6 additions, 5 deletionslib/colvars/Makefile.deps
- lib/colvars/colvar.cpp 18 additions, 5 deletionslib/colvars/colvar.cpp
- lib/colvars/colvar.h 14 additions, 1 deletionlib/colvars/colvar.h
- lib/colvars/colvar_UIestimator.h 736 additions, 0 deletionslib/colvars/colvar_UIestimator.h
- lib/colvars/colvaratoms.cpp 12 additions, 0 deletionslib/colvars/colvaratoms.cpp
- lib/colvars/colvaratoms.h 10 additions, 0 deletionslib/colvars/colvaratoms.h
- lib/colvars/colvarbias.cpp 261 additions, 3 deletionslib/colvars/colvarbias.cpp
- lib/colvars/colvarbias.h 56 additions, 0 deletionslib/colvars/colvarbias.h
- lib/colvars/colvarbias_abf.cpp 54 additions, 7 deletionslib/colvars/colvarbias_abf.cpp
- lib/colvars/colvarbias_abf.h 7 additions, 0 deletionslib/colvars/colvarbias_abf.h
- lib/colvars/colvarbias_meta.cpp 35 additions, 13 deletionslib/colvars/colvarbias_meta.cpp
- lib/colvars/colvarbias_meta.h 8 additions, 2 deletionslib/colvars/colvarbias_meta.h
- lib/colvars/colvarbias_restraint.cpp 79 additions, 19 deletionslib/colvars/colvarbias_restraint.cpp
- lib/colvars/colvarbias_restraint.h 9 additions, 2 deletionslib/colvars/colvarbias_restraint.h
- lib/colvars/colvarcomp.h 6 additions, 1 deletionlib/colvars/colvarcomp.h
- lib/colvars/colvarcomp_coordnums.cpp 6 additions, 0 deletionslib/colvars/colvarcomp_coordnums.cpp
- lib/colvars/colvarcomp_distances.cpp 10 additions, 3 deletionslib/colvars/colvarcomp_distances.cpp
- lib/colvars/colvardeps.cpp 17 additions, 6 deletionslib/colvars/colvardeps.cpp
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