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
This commit is contained in:
Giacomo Fiorin
2019-04-30 09:50:12 -04:00
parent 0005ee3e93
commit 7e00acce53
45 changed files with 2378 additions and 1328 deletions

View File

@ -96,6 +96,9 @@ public:
/// \brief Parse config string and (re)initialize
virtual int init(std::string const &conf);
/// \brief Initialize dependency tree
virtual int init_dependencies();
/// \brief Set to zero all mutable data
virtual int reset();
@ -181,7 +184,7 @@ public:
static std::vector<feature *> cvb_features;
/// \brief Implementation of the feature list accessor for colvarbias
virtual const std::vector<feature *> &features()
virtual const std::vector<feature *> &features() const
{
return cvb_features;
}
@ -220,7 +223,7 @@ protected:
bool has_data;
/// \brief Step number read from the last state file
size_t state_file_step;
cvm::step_number state_file_step;
};