SSAGES
0.9.3
Software Suite for Advanced General Ensemble Simulations
SSAGES
AlphaRMSDCV
SSAGES::AlphaRMSDCV Member List
This is the complete list of members for
SSAGES::AlphaRMSDCV
, including all inherited members.
AlphaRMSDCV
(std::vector< int > resids, std::string refpdb, double unitconv)
SSAGES::AlphaRMSDCV
inline
atomids_
SSAGES::AlphaRMSDCV
private
bounds_
SSAGES::CollectiveVariable
protected
boxgrad_
SSAGES::CollectiveVariable
protected
Build
(const Json::Value &json, const std::string &path)
SSAGES::AlphaRMSDCV
inline
static
BuildCV
(const Json::Value &json, const std::string &path)
SSAGES::CollectiveVariable
static
CollectiveVariable
()
SSAGES::CollectiveVariable
inline
Evaluate
(const Snapshot &snapshot) override
SSAGES::AlphaRMSDCV
inline
SSAGES::CollectiveVariable::Evaluate
(const class Snapshot &)=0
SSAGES::CollectiveVariable
pure virtual
GetBoundaries
()
SSAGES::CollectiveVariable
inline
GetBoxGradient
() const
SSAGES::CollectiveVariable
inline
GetDifference
(double location) const
SSAGES::CollectiveVariable
inline
virtual
GetGradient
() const
SSAGES::CollectiveVariable
inline
GetMinimumImage
(double) const
SSAGES::CollectiveVariable
inline
virtual
GetPeriodicValue
(double location) const
SSAGES::CollectiveVariable
inline
virtual
GetValue
() const
SSAGES::CollectiveVariable
inline
grad_
SSAGES::CollectiveVariable
protected
ids_only_
SSAGES::AlphaRMSDCV
private
Initialize
(const Snapshot &snapshot) override
SSAGES::AlphaRMSDCV
inline
SSAGES::CollectiveVariable::Initialize
(const class Snapshot &)
SSAGES::CollectiveVariable
inline
virtual
refdists_
SSAGES::AlphaRMSDCV
private
refpdb_
SSAGES::AlphaRMSDCV
private
resids_
SSAGES::AlphaRMSDCV
private
unitconv_
SSAGES::AlphaRMSDCV
private
val_
SSAGES::CollectiveVariable
protected
~CollectiveVariable
()
SSAGES::CollectiveVariable
inline
virtual
Generated on Fri Jun 4 2021 17:28:52 for SSAGES by
1.9.1