Documentation for module constraint_vsite

Routines to handle the virtual site constraint/restraint

source: constraint_vsite.F
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public Subroutines/Functions:

SUBROUTINE
shake_vsite_ext (gci, pos)
Intramolecular virtual site
Intramolecular virtual site
control force distribution for virtual sites

SUBROUTINEshake_vsite_ext(gci, pos)

Intramolecular virtual site

Arguments:
POINTER
:: gci ...
REAL(dp),
INTENT(inout)
:: pos(:,:) ...

SUBROUTINEshake_vsite_int(molecule, pos)

Intramolecular virtual site

Arguments:
POINTER
:: molecule ...
REAL(dp),
INTENT(inout)
:: pos(:,:) ...

SUBROUTINEvsite_force_control(force_env)

control force distribution for virtual sites

Arguments:
POINTER
:: force_env ...