mmtbx.dynamics
index
/net/chevy/raid1/nat/src/cctbx_project/mmtbx/dynamics/__init__.py

 
Package Contents
       
cartesian_dynamics
constants
ensemble_cd
simulated_annealing
tst_cartesian_dynamics
tst_sa

 
Classes
       
__builtin__.object
kinetic_energy_and_temperature

 
class kinetic_energy_and_temperature(__builtin__.object)
     Methods defined here:
__init__(O, velocities, masses)

Data descriptors defined here:
__dict__
dictionary for instance variables (if defined)
__weakref__
list of weak references to the object (if defined)

 
Functions
       
kinetic_energy(...)
kinetic_energy( (vec3_double)velocities, (object)masses) -> float :
 
    C++ signature :
        double kinetic_energy(scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<double, scitbx::af::trivial_accessor>)
kinetic_energy_as_temperature(dof, e)
stop_center_of_mass_motion(...)
stop_center_of_mass_motion( (object)arg1, (object)arg2, (object)arg3, (vec3_double)arg4, (vec3_double)arg5, (double)arg6) -> vec3_double :
 
    C++ signature :
        scitbx::af::shared<scitbx::vec3<double> > stop_center_of_mass_motion(scitbx::vec3<double>,scitbx::vec3<double>,scitbx::vec3<double>,scitbx::af::shared<scitbx::vec3<double> >,scitbx::af::shared<scitbx::vec3<double> >,scitbx::af::shared<double>)
temperature_as_kinetic_energy(dof, t)
vxyz_at_t_plus_dt_over_2(...)
vxyz_at_t_plus_dt_over_2( (vec3_double)arg1, (double)arg2, (vec3_double)arg3, (float)arg4) -> None :
 
    C++ signature :
        void vxyz_at_t_plus_dt_over_2(scitbx::af::shared<scitbx::vec3<double> >,scitbx::af::shared<double>,scitbx::af::shared<scitbx::vec3<double> >,double)

 
Data
        division = _Feature((2, 2, 0, 'alpha', 2), (3, 0, 0, 'alpha', 0), 8192)