Documentation for module constraint_4x6

...

source: constraint_4x6.F
Loading...

public Subroutines/Functions:

Intramolecular rattle_4x6
Intramolecular rattle_4x6
Intramolecular rattle_4x6_roll
Intramolecular rattle_4x6_roll
Intramolecular shake_4x6
Intramolecular shake_4x6
Intramolecular shake_4x6_roll
Intramolecular shake_4x6_roll

SUBROUTINErattle_4x6_ext(gci, particle_set, vel, dt)

Intramolecular rattle_4x6

Arguments:
POINTER
:: gci ...
POINTER
:: particle_set(:) ...
REAL(dp),
INTENT(inout)
:: vel(:,:) ...
REAL(dp),
INTENT(in)
:: dt ...

SUBROUTINErattle_4x6_int(molecule, particle_set, vel, dt)

Intramolecular rattle_4x6

Arguments:
POINTER
:: molecule ...
POINTER
:: particle_set(:) ...
REAL(dp),
INTENT(inout)
:: vel(:,:) ...
REAL(dp),
INTENT(in)
:: dt ...

SUBROUTINErattle_roll_4x6_ext(gci, particle_set, vel, r_rattle, dt, veps)

Intramolecular rattle_4x6_roll

Arguments:
POINTER
:: gci ...
POINTER
:: particle_set(:) ...
REAL(dp),
INTENT(inout)
:: vel(:,:) ...
REAL(dp),
INTENT(in)
:: r_rattle(:,:) ...
REAL(dp),
INTENT(in)
:: dt ...
REAL(dp),
INTENT(in)
:: veps(:,:) ...

SUBROUTINErattle_roll_4x6_int(molecule, particle_set, vel, r_rattle, dt, veps)

Intramolecular rattle_4x6_roll

Arguments:
POINTER
:: molecule ...
POINTER
:: particle_set(:) ...
REAL(dp),
INTENT(inout)
:: vel(:,:) ...
REAL(dp),
INTENT(in)
:: r_rattle(:,:) ...
REAL(dp),
INTENT(in)
:: dt ...
REAL(dp),
INTENT(in)
:: veps(:,:) ...

SUBROUTINEshake_4x6_ext(gci, particle_set, pos, vel, dt, ishake, max_sigma)

Intramolecular shake_4x6

Arguments:
POINTER
:: gci ...
POINTER
:: particle_set(:) ...
REAL(dp),
INTENT(inout)
:: pos(:,:) ...
REAL(dp),
INTENT(inout)
:: vel(:,:) ...
REAL(dp),
INTENT(in)
:: dt ...
INTEGER,
INTENT(in)
:: ishake ...
REAL(dp),
INTENT(inout)
:: max_sigma ...

SUBROUTINEshake_4x6_int(molecule, particle_set, pos, vel, dt, ishake, max_sigma)

Intramolecular shake_4x6

Arguments:
POINTER
:: molecule ...
POINTER
:: particle_set(:) ...
REAL(dp),
INTENT(inout)
:: pos(:,:) ...
REAL(dp),
INTENT(inout)
:: vel(:,:) ...
REAL(dp),
INTENT(in)
:: dt ...
INTEGER,
INTENT(in)
:: ishake ...
REAL(dp),
INTENT(inout)
:: max_sigma ...

SUBROUTINEshake_roll_4x6_ext(gci, particle_set, pos, vel, r_shake, dt, ishake, max_sigma)

Intramolecular shake_4x6_roll

Arguments:
POINTER
:: gci ...
POINTER
:: particle_set(:) ...
REAL(dp),
INTENT(inout)
:: pos(:,:) ...
REAL(dp),
INTENT(inout)
:: vel(:,:) ...
REAL(dp),
INTENT(in)
:: r_shake(:,:) ...
REAL(dp),
INTENT(in)
:: dt ...
INTEGER,
INTENT(in)
:: ishake ...
REAL(dp),
INTENT(inout)
:: max_sigma ...

SUBROUTINEshake_roll_4x6_int(molecule, particle_set, pos, vel, r_shake, dt, ishake, max_sigma)

Intramolecular shake_4x6_roll

Arguments:
POINTER
:: molecule ...
POINTER
:: particle_set(:) ...
REAL(dp),
INTENT(inout)
:: pos(:,:) ...
REAL(dp),
INTENT(inout)
:: vel(:,:) ...
REAL(dp),
INTENT(in)
:: r_shake(:,:) ...
REAL(dp),
INTENT(in)
:: dt ...
INTEGER,
INTENT(in)
:: ishake ...
REAL(dp),
INTENT(inout)
:: max_sigma ...