Commit 7e00acce authored by Giacomo Fiorin's avatar Giacomo Fiorin
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Update Colvars library to version 2019-04-26 

The following is list of relevant issues fixed and improvements:

Fix forces and missing output of runtime histogram for histogramRestraint
https://github.com/Colvars/colvars/pull/246

Use fix_modify to add configuration to Colvars:
https://github.com/Colvars/colvars/pull/216

Fix componentCoeff and name not working with orientationAngle components:
https://github.com/Colvars/colvars/issues/213

Fix 1-timestep offset with extendedLagrangian:
https://github.com/Colvars/colvars/pull/210

Changes to improve compiler support:
https://github.com/Colvars/colvars/pull/203

Fix ignored anisotropic cutoff3 for groupCoordNum:
https://github.com/Colvars/colvars/pull/202

New dipoleMagnitude variable:
https://github.com/Colvars/colvars/pull/198

Parser improvements:
https://github.com/Colvars/colvars/pull/196
parent 0005ee3e

doc/src/PDF/colvars-refman-lammps.pdf

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doc/src/fix_colvars.txt

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Original line number Diff line number Diff line
@@ -98,6 +98,16 @@ fix to add the energy change from the biasing force added by the fix 
to the system's potential energy as part of "thermodynamic

output"_thermo_style.html.



The {fix_modify configfile <config file>} option allows to add settings

from an additional config file to the colvars module. This option can

only be used, after the system has been initialized with a "run"_run.html

command.



The {fix_modify config <quoted string>} option allows to add settings

from inline strings. Those have to fit on a single line when enclosed

in a pair of double quotes ("), or can span multiple lines when bracketed

by a pair of triple double quotes (""", like python embedded documentation).



This fix computes a global scalar which can be accessed by various

"output commands"_Howto_output.html.  The scalar is the cumulative

energy change due to this fix.  The scalar value calculated by this

lib/colvars/colvar.cpp

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lib/colvars/colvar.h

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lib/colvars/colvar_UIestimator.h

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