Gromacs  2025-dev-20240812-545ca5b
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
Functions | Variables
gmx::anonymous_namespace{enerdata.cpp} Namespace Reference

Functions

t_lambda makeFepvals (const std::vector< double > &lambdaVdw, const std::vector< double > &lambdaCoul)
 

Variables

constexpr int c_numLambdas = 5
 
const std::array< double,
c_numLambdas > 
dhdlVdw = { 1.0, 2.0, 4.0, 8.0, 16.0 }
 
const std::array< double,
c_numLambdas > 
dhdlCoul = { 32.0, 64.0, 128.0, 256.0, 512.0 }
 
const gmx::EnumerationArray
< FreeEnergyPerturbationCouplingType,
double > 
dhdlLinearZero
 

Variable Documentation

const gmx::EnumerationArray<FreeEnergyPerturbationCouplingType, double> gmx::anonymous_namespace{enerdata.cpp}::dhdlLinearZero
Initial value:
= { 0.0, 0.0,
0.0, 0.0,
0.0, 0.0 }