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

After \par Examples there should be an empty line

[makedoc]

This is a huge commit, applying indentation to the whole
code.

See #215

This reverts commit 37001778.

This reverts commit 8dab6d81.

(sorry)

It now detects if different replicas have different bias-factor

When using METAD with file-based multiple walkers and many processes
launched with mpirun (e.g. with gromacs -multi) replica suffix is
not added to grid file.

(see also 667da1b3)

Contributed by Marco De La Pierre

[makedoc]

[makedoc]

When using METAD with file-based multiple walkers and many processes
launched with mpirun (e.g. with gromacs -multi) replica suffix is
not added to hills file.

Contributed by Marco De La Pierre

gaussian with grids, the check for sigma_min and
grid was not working properly

the gaussian support was wrong

[makedoc]

now METAD and PBMETAD can write grid files upon checkpointing
related to #37 and #125

-the component bias and a pointer to it are now initialised in Bias.cpp
-the derivatives for bias are automatically set from forces  in apply

- METAD: exit with error if used
- PBMETAD: gives a warning and deactivate the interval for the specific variable
close #181

[makedoc]

close #21

- added the restart from grid to PBMETAD
- more error checking

- when restart from GRID (RGRID+RESTART) doens't read the HILLS (but continue to append)
- if not restart then the HILLS are added to the existing GRID
- the grid is not external anymore, in this way when you write the grid you write the total one
- grid files are written only once in case of multiple walkers
NOTE: the grid is not modified for the BIASFACTOR because the BIASFACTOR is not currently stored
in the grid, this means that if you restart from a grid

- reformatted
- restart from a grid doens't read HILLS
- in MW grid are only written once as for HILLS

I cleaned up some of the (innocuous) warnings

this check should be done also in NDEBUG mode

turnOnDerivatives() was missing at the end of MetaD

This is required because of the limitations of the previous commit

Same as #171 but using C++ standard include file <ctime>

Closes #171