cc: @maxbonomi

should be not important. In particular, when invsigma was <10-12
sigma was set as equal to invsigma. Now it is set to zero,
which I think is the expected behavior.

Especially when printing size_t it is better to use << operator
which always uses the right size.

This commit contains changes automatically generated by plumedbot on Travis-ci.

This commit contains changes automatically generated by plumedbot on Travis-ci.

Closes #426

* restyling for the reweighting c(t) calculation

* fixed bug in multidimensional grid integration

* fixed regtest for 2D reweighting

* changed reweighting keywords and some doc

I tried to interpret and fix the code and for me it works nicely with 1 to 3 CVs.
Here a brief description: the index i spans through the whole reweghting-grid (according to the mpi rank in case of mpi).
rewf_grid_ contains the size on each dimension of the reweghting-grid. t_index is the array containing the coordinates of i in each dimension of the grid. The indexes had to be changed from i to j in line 1967, which indeed spans correctly the dimensions of the grid. In 1968 in order to get the correct index, we need to subtract the former index (ncv-2 -- instead of "ncv-1" which is yet not assigned -- from what is left of kk).

I didn't attempt any further test.

Please let me know if I had misinterpreted the code.

Fixes #399

* flying Gaussian added

* Update MetaD.cpp

Making plumedcheck happy

* Update MetaD.cpp

Making plumedcheck happy again

* Update MetaD.cpp

Making plumedcheck finally happy

* regtest for flying Gaussian

* Update MetaD.cpp

Adding flying Gaussian with parallel tempering.

* Update MetaD.cpp

* Flying Gaussian with Parallel tempering

* Added PT to FG

* PT for FG

* PT for FG

* PT for FG

* pokus

* Making patch to know from plumed.dat

* Make patch know from plumed.dat

* Make patch know from plumed.dat

* Make patch to know from plumed.dat

* Update GREX.cpp

* Update GREX.cpp

* Update PlumedMain.h

* Update GREX.cpp

* Update GREX.cpp

* Update GREX.cpp

* Update repl_ex.cpp

* PTFG

* oprava

* blbost

* blbost2

* flying gaussian with parallel tempering

* PTFG

* just Flying Gaussian without PT

* just Flying Gaussian without PT 2

* copying and adapting the FaMetaD code from the old version, still need to be tested

* forgot keywords

* fixed a few things in the FaMetaD

* improved parsing, error msg, and log printing

* moved updating of pace to update()

* astyle fix

* made FaMetaD work with current acc cacluations

* regtest for FaMetaD

* added printout of reading in of acc value

* fixed a newline error in acc printout

* added manual info for FaMetaD

* astyle fix

* removed not needed values from colvar file in rt

* fixed a problem with restarting of FaMetaD

* added rt for restarting of FaMetaD

* add notes to the manual on restarting and acc factor

* fix for restart regtest for fametad

* added warning if restarting and not reading in acc from file

* astyle fixes

* Added a check to make sure that combing FaMetaD and MPI mwalkers is not allowed

* changed error call to be consistent

removed sentence about NOSPLINE

https://groups.google.com/d/msgid/plumed-users/4bdade66-5dde-4748-b3c2-3c6155906b69%40googlegroups.com?utm_medium=email&utm_source=footer

cc: @valsson

immediately assign newly created object to unique_ptr

Notice that files are closed on destructor anyway.

I went through cppcheck warnings (style) and fixes those I understood.
Mostly issues related to scope of variables.

This commit contains changes automatically generated by plumedbot on Travis-ci.

This commit contains changes automatically generated by plumedbot on Travis-ci.

I modified WHAM in order to work with multiple replicas

It still needs a concatenated trajectory.