Package src :: Package toplevel :: Module Constants
[hide private]
[frames] | no frames]

Module Constants

source code

Functions [hide private]
float
boltzmann()
Returns: Boltzmann constant, units kcal/mol K^-1
source code
float
epsilon()
Returns: 10^-14
source code
float
tiny()
Returns: 10^-20
source code
float
timeFactor()
Returns: Timestep scaling factor for propagation.
source code
float
invTimeFactor()
Returns: Inverse of the timestep scaling factor for propagation.
source code
float
periodicBoundaryTolerance()
Returns: Size of buffer zone for the periodic cell.
source code
float
sqrtCoulombConstant()
Returns: sqrt(k), for electrostatic energy (kq1q2/r).
source code
float
pressureFactor() source code
float
pdbVelScalingFactor()
Returns: Scaling factor for velocities from a PDB file.
source code
float
coulombFactor()
Returns: Scaling factor to convert between units of Vm and C.
source code
float
electronCharge()
Returns: Charge of an electron in Coulombs.
source code
float
aaTom()
Returns: Conversion from Angstroms to meter.
source code
float
avogadro()
Returns: Avogadro's number (atoms per mol).
source code
float
amuToKg()
Returns: Scaling factor to convert AMU to SI kg.
source code
float
kcalToJoule()
Returns: Scaling factor to convert kcal to SI Joules.
source code
float
fsTime()
Returns: Number of fs per second (10^-15)
source code
float
siBoltzmann()
Returns: Boltzmann constant in SI units (J/K)
source code
Variables [hide private]
  __package__ = None
Function Details [hide private]

boltzmann()

source code 
Returns: float
Boltzmann constant, units kcal/mol K^-1

epsilon()

source code 
Returns: float
10^-14

tiny()

source code 
Returns: float
10^-20

timeFactor()

source code 
Returns: float
Timestep scaling factor for propagation.

invTimeFactor()

source code 
Returns: float
Inverse of the timestep scaling factor for propagation.

periodicBoundaryTolerance()

source code 
Returns: float
Size of buffer zone for the periodic cell.

sqrtCoulombConstant()

source code 
Returns: float
sqrt(k), for electrostatic energy (kq1q2/r).

pdbVelScalingFactor()

source code 
Returns: float
Scaling factor for velocities from a PDB file.

coulombFactor()

source code 
Returns: float
Scaling factor to convert between units of Vm and C.

electronCharge()

source code 
Returns: float
Charge of an electron in Coulombs.

aaTom()

source code 
Returns: float
Conversion from Angstroms to meter.

avogadro()

source code 
Returns: float
Avogadro's number (atoms per mol).

amuToKg()

source code 
Returns: float
Scaling factor to convert AMU to SI kg.

kcalToJoule()

source code 
Returns: float
Scaling factor to convert kcal to SI Joules.

fsTime()

source code 
Returns: float
Number of fs per second (10^-15)

siBoltzmann()

source code 
Returns: float
Boltzmann constant in SI units (J/K)