v0.1.7

Full Changelog: v0.1.7...v0.1.7

kcal bug fixed, prob added

Changes:

• kcal bug fixed, thanks to Alberto Pérez de Alba Ortíz
• prob function added

ready for metadynminer3d

The new version includes:

• function read.plumed added for reading FES from plumed sum_hills
• fes and fes2 modified to reach consistency with plumed sum_hills
• functions were made ready for a 3D addendum metadynminer3d

v0.1.4

Bug (no hills in fes after adding fes to fes, fes to scalar and subtracting scalar from fes) corrected.

v0.1.3

New version with fixed bugs:

• bug fixed in neb for non-periodic systems
• free energy surface with colour scale can be followed by lines, points and linesonfes commands.

v0.1.2

• fixed initiation of v and g in mm.cpp

v0.1.1

• minor typos fixed in manual

v0.1.0

cran-comments.md added