Documentation for module colvar_methods

defines collective variables s({R}) and the derivative of this variable wrt R these can then be used in constraints, restraints and metadynamics ...

source: colvar_methods.F
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public Subroutines/Functions:

evaluates the derivatives (dsdr) given and due to the given colvar
evaluates the derivatives (dsdr) given and due to the given colvar variables in a molecular environment
SUBROUTINE RECURSIVE
colvar_read (colvar, icol, colvar_section, para_env)
reads a colvar from the input

SUBROUTINEcolvar_eval_glob_f(icolvar, force_env)

evaluates the derivatives (dsdr) given and due to the given colvar

Arguments:
INTEGER
:: icolvar the collective variable to evaluate
POINTER
:: force_env ...

SUBROUTINEcolvar_eval_mol_f(colvar, cell, particles, pos, fixd_list)

evaluates the derivatives (dsdr) given and due to the given colvar variables in a molecular environment

Arguments:
POINTER
:: colvar the collective variable to evaluate
TYPE(cell_type),
POINTER
:: cell ...
POINTER
:: particles(:) ...
REAL(dp),
INTENT(in),
OPTIONAL
:: pos(:,:) ...
OPTIONAL, POINTER
:: fixd_list(:) ...

RECURSIVE SUBROUTINEcolvar_read(colvar, icol, colvar_section, para_env)

reads a colvar from the input

Arguments:
POINTER
:: colvar the place where to store what will be read
INTEGER,
INTENT(in)
:: icol number of the current colvar (repetition in colvar_section)
POINTER
:: colvar_section the colvar section
POINTER
:: para_env ...