Files
lammps/lib/colvars/colvarmodule_refs.h
Giacomo Fiorin 377c652a83 Update Colvars library to version 2023-05-01
This update consists exclusively of bugfixes or maintenance-related changes.

The following is a list of pull requests in the Colvars repository since the previous update to LAMMPS:

- 532 Add XYZ trajectory reading feature
  https://github.com/Colvars/colvars/pull/532 (@jhenin, @giacomofiorin)

- 531 Delete objects quietly, unless explicitly requested via script (including VMD)
  https://github.com/Colvars/colvars/pull/531 (@giacomofiorin)

- 530 Append newline to log and error messages if not already present
  https://github.com/Colvars/colvars/pull/530 (@giacomofiorin)

- 528 Forward-declare OpenMP lock
  https://github.com/Colvars/colvars/pull/528 (@giacomofiorin)

- 527 Remove unneeded STL container
  https://github.com/Colvars/colvars/pull/527 (@giacomofiorin)

- 526 Allow collecting configuration files and strings before setting up interface
  https://github.com/Colvars/colvars/pull/526 (@giacomofiorin, @jhenin)

- 523 Fallback to linearCombination when customFunction is missing in customColvar
  https://github.com/Colvars/colvars/pull/523 (@HanatoK, @giacomofiorin)

- 522 Use iostream::fail() to check for I/O error
  https://github.com/Colvars/colvars/pull/522 (@jhenin)

- 520 Fix ref count
  https://github.com/Colvars/colvars/pull/520 (@giacomofiorin)

- 513 Set target temperature through a common code path
  https://github.com/Colvars/colvars/pull/513 (@giacomofiorin, @jhenin)

- 509 Safer detection of Windows with recent Microsoft Visual Studio versions
  https://github.com/Colvars/colvars/pull/509 (@akohlmey)

- 508 Update LAMMPS patching method to reflect Lepton availability
  https://github.com/Colvars/colvars/pull/508 (@giacomofiorin)

- 497 Increase the precision of write_multicol
  https://github.com/Colvars/colvars/pull/497 (@HanatoK)

- 496 Only perform MTS automatic enable/disable for timeStepFactor > 1
  https://github.com/Colvars/colvars/pull/496 (@giacomofiorin)

- 493 Remove unused branch of quaternion input function
  https://github.com/Colvars/colvars/pull/493 (@giacomofiorin)

- 489 Ensure there are spaces between the fields in the header
  https://github.com/Colvars/colvars/pull/489 (@HanatoK)

- 487 Use map of output streams, and return references to its elements
  https://github.com/Colvars/colvars/pull/487 (@giacomofiorin, @jhenin)

- 486 Remember first step of moving restraint
  https://github.com/Colvars/colvars/pull/486 (@jhenin)

- 485 Add decoupling option for moving restraints
  https://github.com/Colvars/colvars/pull/485 (@jhenin)

- 483 Update Lepton via patching procedure
  https://github.com/Colvars/colvars/pull/483 (@giacomofiorin)

- 481 Make file-reading operations of input data abstractable
  https://github.com/Colvars/colvars/pull/481 (@giacomofiorin)

Authors: @akohlmey, @giacomofiorin, @HanatoK, @jhenin
2023-05-17 13:29:00 -04:00

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feature_count_[std::string("distance colvar component")] = 0;
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feature_paper_map_[std::string("distanceVec colvar component (derived from distance)")] = "Fiorin2013";
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feature_paper_map_[std::string("distanceInv colvar component")] = "Fiorin2013";
feature_count_[std::string("angle colvar component")] = 0;
feature_paper_map_[std::string("angle colvar component")] = "Fiorin2013";
feature_count_[std::string("dihedral colvar component")] = 0;
feature_paper_map_[std::string("dihedral colvar component")] = "Fiorin2013";
feature_count_[std::string("coordNum colvar component")] = 0;
feature_paper_map_[std::string("coordNum colvar component")] = "Fiorin2013";
feature_count_[std::string("selfCoordNum colvar component")] = 0;
feature_paper_map_[std::string("selfCoordNum colvar component")] = "Fiorin2013";
feature_count_[std::string("groupCoord colvar component (derived from distance)")] = 0;
feature_paper_map_[std::string("groupCoord colvar component (derived from distance)")] = "Fiorin2013";
feature_count_[std::string("hBond colvar component")] = 0;
feature_paper_map_[std::string("hBond colvar component")] = "Fiorin2013";
feature_count_[std::string("rmsd colvar component")] = 0;
feature_paper_map_[std::string("rmsd colvar component")] = "Fiorin2013";
feature_count_[std::string("eigenvector colvar component")] = 0;
feature_paper_map_[std::string("eigenvector colvar component")] = "Fiorin2013";
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feature_paper_map_[std::string("gyration colvar component")] = "Fiorin2013";
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feature_paper_map_[std::string("inertia colvar component (derived from gyration)")] = "Fiorin2013";
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feature_paper_map_[std::string("inertiaZ colvar component (derived from inertia)")] = "Fiorin2013";
feature_count_[std::string("orientation colvar component")] = 0;
feature_paper_map_[std::string("orientation colvar component")] = "Fiorin2013";
feature_count_[std::string("Moving frame of reference")] = 0;
feature_paper_map_[std::string("Moving frame of reference")] = "Fiorin2013";
feature_count_[std::string("Optimal rotation via flexible fitting")] = 0;
feature_paper_map_[std::string("Optimal rotation via flexible fitting")] = "Fiorin2013";
feature_count_[std::string("orientationAngle colvar component (derived from orientation)")] = 0;
feature_paper_map_[std::string("orientationAngle colvar component (derived from orientation)")] = "Fiorin2013";
feature_count_[std::string("orientationProj colvar component (derived from orientation)")] = 0;
feature_paper_map_[std::string("orientationProj colvar component (derived from orientation)")] = "Fiorin2013";
feature_count_[std::string("spinAngle colvar component (derived from orientation)")] = 0;
feature_paper_map_[std::string("spinAngle colvar component (derived from orientation)")] = "Fiorin2013";
feature_count_[std::string("tilt colvar component (derived from orientation)")] = 0;
feature_paper_map_[std::string("tilt colvar component (derived from orientation)")] = "Fiorin2013";
feature_count_[std::string("alpha colvar component")] = 0;
feature_paper_map_[std::string("alpha colvar component")] = "Fiorin2013";
feature_count_[std::string("dihedralPC colvar component")] = 0;
feature_paper_map_[std::string("dihedralPC colvar component")] = "Fiorin2013";
feature_count_[std::string("cartesian colvar component")] = 0;
feature_paper_map_[std::string("cartesian colvar component")] = "Fiorin2013";
feature_count_[std::string("Linear and polynomial combination of colvar components")] = 0;
feature_paper_map_[std::string("Linear and polynomial combination of colvar components")] = "Fiorin2013";
feature_count_[std::string("Metadynamics colvar bias implementation")] = 0;
feature_paper_map_[std::string("Metadynamics colvar bias implementation")] = "Fiorin2013";
feature_count_[std::string("Multiple-walker metadynamics colvar bias implementation")] = 0;
feature_paper_map_[std::string("Multiple-walker metadynamics colvar bias implementation")] = "Fiorin2013";
feature_count_[std::string("Harmonic colvar bias implementation")] = 0;
feature_paper_map_[std::string("Harmonic colvar bias implementation")] = "Fiorin2013";
feature_count_[std::string("harmonicWalls colvar bias implementation")] = 0;
feature_paper_map_[std::string("harmonicWalls colvar bias implementation")] = "Fiorin2013";
feature_count_[std::string("Linear colvar bias implementation")] = 0;
feature_paper_map_[std::string("Linear colvar bias implementation")] = "Fiorin2013";
feature_count_[std::string("Histogram colvar bias implementation")] = 0;
feature_paper_map_[std::string("Histogram colvar bias implementation")] = "Fiorin2013";
feature_count_[std::string("mapTotal colvar component")] = 0;
feature_paper_map_[std::string("mapTotal colvar component")] = "Fiorin2020";
feature_count_[std::string("Volumetric map-based collective variables")] = 0;
feature_paper_map_[std::string("Volumetric map-based collective variables")] = "Fiorin2020";
feature_count_[std::string("Multi-Map collective variables")] = 0;
feature_paper_map_[std::string("Multi-Map collective variables")] = "Fiorin2020";
feature_count_[std::string("Umbrella-integration eABF estimator")] = 0;
feature_paper_map_[std::string("Umbrella-integration eABF estimator")] = "Fu2016";
feature_count_[std::string("polarTheta colvar component")] = 0;
feature_paper_map_[std::string("polarTheta colvar component")] = "Fu2017";
feature_count_[std::string("polarPhi colvar component")] = 0;
feature_paper_map_[std::string("polarPhi colvar component")] = "Fu2017";
feature_count_[std::string("eulerPhi colvar component (derived from orientation)")] = 0;
feature_paper_map_[std::string("eulerPhi colvar component (derived from orientation)")] = "Fu2017";
feature_count_[std::string("eulerTheta colvar component (derived from orientation)")] = 0;
feature_paper_map_[std::string("eulerTheta colvar component (derived from orientation)")] = "Fu2017";
feature_count_[std::string("eulerPsi colvar component (derived from orientation)")] = 0;
feature_paper_map_[std::string("eulerPsi colvar component (derived from orientation)")] = "Fu2017";
feature_count_[std::string("dipoleAngle colvar component")] = 0;
feature_paper_map_[std::string("dipoleAngle colvar component")] = "Garate2019";
feature_count_[std::string("dipoleMagnitude colvar component")] = 0;
feature_paper_map_[std::string("dipoleMagnitude colvar component")] = "Garate2019";
feature_count_[std::string("ABF colvar bias implementation")] = 0;
feature_paper_map_[std::string("ABF colvar bias implementation")] = "Henin2010";
feature_count_[std::string("Internal-forces free energy estimator")] = 0;
feature_paper_map_[std::string("Internal-forces free energy estimator")] = "Henin2010";
feature_count_[std::string("VMD engine")] = 0;
feature_paper_map_[std::string("VMD engine")] = "Humphrey1996";
feature_count_[std::string("eABF implementation")] = 0;
feature_paper_map_[std::string("eABF implementation")] = "Lesage2017";
feature_count_[std::string("CZAR eABF estimator")] = 0;
feature_paper_map_[std::string("CZAR eABF estimator")] = "Lesage2017";
feature_count_[std::string("Poisson integration of 2D/3D free energy surfaces")] = 0;
feature_paper_map_[std::string("Poisson integration of 2D/3D free energy surfaces")] = "Henin2021";
feature_count_[std::string("Ensemble-biased metadynamics (ebMetaD)")] = 0;
feature_paper_map_[std::string("Ensemble-biased metadynamics (ebMetaD)")] = "Marinelli2015";
feature_count_[std::string("NAMD engine")] = 0;
feature_paper_map_[std::string("NAMD engine")] = "Phillips2020";
feature_count_[std::string("Scalable center-of-mass computation (NAMD)")] = 0;
feature_paper_map_[std::string("Scalable center-of-mass computation (NAMD)")] = "Phillips2020";
feature_count_[std::string("LAMMPS engine")] = 0;
feature_paper_map_[std::string("LAMMPS engine")] = "Thompson2022";
feature_count_[std::string("distancePairs colvar component")] = 0;
feature_paper_map_[std::string("distancePairs colvar component")] = "Shen2015";
feature_count_[std::string("histogramRestraint colvar bias implementation")] = 0;
feature_paper_map_[std::string("histogramRestraint colvar bias implementation")] = "Shen2015";
feature_count_[std::string("GridForces volumetric map implementation for NAMD")] = 0;
feature_paper_map_[std::string("GridForces volumetric map implementation for NAMD")] = "Wells2007";
feature_count_[std::string("ALB colvar bias implementation")] = 0;
feature_paper_map_[std::string("ALB colvar bias implementation")] = "White2014";
feature_count_[std::string("Colvars-GROMACS interface")] = 0;
feature_paper_map_[std::string("Colvars-GROMACS interface")] = "n/a";
feature_count_[std::string("Colvars Dashboard (Colvars-VMD graphical user interface)")] = 0;
feature_paper_map_[std::string("Colvars Dashboard (Colvars-VMD graphical user interface)")] = "n/a";
feature_count_[std::string("gspath colvar component")] = 0;
feature_paper_map_[std::string("gspath colvar component")] = "n/a";
feature_count_[std::string("gzpath colvar component")] = 0;
feature_paper_map_[std::string("gzpath colvar component")] = "n/a";
feature_count_[std::string("linearCombination colvar component")] = 0;
feature_paper_map_[std::string("linearCombination colvar component")] = "n/a";
feature_count_[std::string("gspathCV colvar component")] = 0;
feature_paper_map_[std::string("gspathCV colvar component")] = "n/a";
feature_count_[std::string("gzpathCV colvar component")] = 0;
feature_paper_map_[std::string("gzpathCV colvar component")] = "n/a";
feature_count_[std::string("aspathCV colvar component")] = 0;
feature_paper_map_[std::string("aspathCV colvar component")] = "n/a";
feature_count_[std::string("azpathCV colvar component")] = 0;
feature_paper_map_[std::string("azpathCV colvar component")] = "n/a";
feature_count_[std::string("coordNum pairlist")] = 0;
feature_paper_map_[std::string("coordNum pairlist")] = "n/a";
feature_count_[std::string("Custom functions (Lepton)")] = 0;
feature_paper_map_[std::string("Custom functions (Lepton)")] = "n/a";
feature_count_[std::string("Scripted functions (Tcl)")] = 0;
feature_paper_map_[std::string("Scripted functions (Tcl)")] = "n/a";