OpenMD
3.1
Molecular Dynamics in the Open
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Todo List
Class
antlr::ASTFactory
check all this code for possible use of references in stead of RefAST's.
Member
antlr::ASTFactory::make
(
ASTArray
*nodes)
FIXME! I have a feeling we can get rid of this ugly
ASTArray
thing
Member
antlr::CircularQueue< T >::elementAt
(size_t idx) const
this should use at or should have a check
Class
antlr::Parser
add constructors with
ASTFactory
.
Member
antlr::ParserInputState::filename
wrap this one..
Class
antlr::TokenBuffer
: see if we can integrate this one with
InputBuffer
into one template or so.
Class
OpenMD::BaseAtomVisitor
document
Member
OpenMD::Bend::calcForce
(RealType &angle, bool doParticlePot)
still a lot left to improve
Class
OpenMD::BlockSnapshotManager
document
Class
OpenMD::ChebyshevT
document
Class
OpenMD::ChebyshevU
document
Class
OpenMD::ConstraintPair
document
Class
OpenMD::CubicBendType
document
Class
OpenMD::CubicBondType
document
Class
OpenMD::CubicTorsionType
document
Class
OpenMD::DataStorage
DataStorage
may need refactoring. Every vector can inherit from the same base class which will make it easy to maintain
Class
OpenMD::DLM
document
Class
OpenMD::DumpReader
get rid of more junk code from
DumpReader
Class
OpenMD::DumpWriter
Member
OpenMD::DynamicRectMatrix< Real >::operator==
(const DynamicRectMatrix< Real > &m)
replace operator == by template function equal
Member
OpenMD::getPrefix
(const std::string &str)
need implementation
Member
OpenMD::GhostBend::calcForce
(RealType &angle, bool doParticlePot)
still a lot left to improve
Class
OpenMD::HarmonicBendType
documentation
Class
OpenMD::HydrodynamicsModel
document
Class
OpenMD::HydrodynamicsModelBuilder< ConcreteHydrodynamicsModel >
document
Class
OpenMD::IndexListContainer
documentation
Class
OpenMD::Integrator
document
Class
OpenMD::IntegratorBuilder< ConcreteIntegrator >
document
Class
OpenMD::Lattice
document
Class
OpenMD::LatticeBuilder< ConcreteLattice >
document
Class
OpenMD::LegendrePolynomial
document
Class
OpenMD::NVT
document
Class
OpenMD::PolynomialBendType
documentation
Class
OpenMD::PolynomialBondType
documentation
Class
OpenMD::PolynomialInversionType
documentation
Class
OpenMD::PolynomialTorsionType
documentation
Class
OpenMD::QuarticBendType
document
Class
OpenMD::QuarticBondType
document
Class
OpenMD::QuarticTorsionType
document
Member
OpenMD::RectMatrix< Real, Row, Col >::operator==
(const RectMatrix< Real, Row, Col > &m)
replace operator == by template function equal
Member
OpenMD::RigidBody::calcRefCoords
()
need modification
Class
OpenMD::SectionParser
document
Class
OpenMD::SelectionCompiler
document
Member
OpenMD::SquareMatrix3< Real >::diagonalize
(SquareMatrix3< Real > &a, Vector3< Real > &w, SquareMatrix3< Real > &v)
Member
OpenMD::SquareMatrix< Real, Dim >::diagonalize
()
need implementation
Class
OpenMD::Token
document
Member
OpenMD::TypeContainer< ElemType, SIZE >::find
(KeyType &keys, const std::string &wildCard)
Class
OpenMD::UreyBradleyBendType
documentation
Class
OpenMD::ZConsReader
document
Member
OpenMD::ZConsVisitor::ZConsVisitor
(
SimInfo
*info)
only works for single version now
Generated on Wed Jun 26 2024 13:56:41 for OpenMD by
1.11.0