assignParameters(CharmmEEF1::Values ¶meters, Atom::Type I) const | CharmmEEF1 | |
CharmmEEF1() | CharmmEEF1 | |
CharmmEEF1(const CharmmEEF1 &charmm_EEF1) | CharmmEEF1 | |
clear() | CharmmEEF1 | [virtual] |
Cp_ref_ (defined in CharmmEEF1) | CharmmEEF1 | [protected] |
dG_free_ (defined in CharmmEEF1) | CharmmEEF1 | [protected] |
dG_ref_ (defined in CharmmEEF1) | CharmmEEF1 | [protected] |
dH_ref_ (defined in CharmmEEF1) | CharmmEEF1 | [protected] |
entries_ (defined in ParameterSection) | ParameterSection | [protected] |
extractSection(ForceFieldParameters ¶meters, const String §ion_name) | CharmmEEF1 | [virtual] |
extractSection(Parameters ¶meters, const String §ion_name) | CharmmEEF1 | [virtual] |
format_line_ (defined in ParameterSection) | ParameterSection | [protected] |
getColumnIndex(const String &variable) const | ParameterSection | |
getKey(Position key_index) const | ParameterSection | |
getNumberOfKeys() const | ParameterSection | |
getNumberOfVariables() const | ParameterSection | |
getParameters(Atom::Type I) const | CharmmEEF1 | |
getSectionName() const | ParameterSection | |
getValue(const String &key, const String &variable) const | ParameterSection | |
getValue(Position key_index, Position variable_index) const | ParameterSection | |
has(const String &key, const String &variable) const | ParameterSection | |
has(const String &key) const | ParameterSection | |
hasParameters(Atom::Type I) const | CharmmEEF1 | |
hasVariable(const String &variable) const | ParameterSection | |
is_defined_ (defined in CharmmEEF1) | CharmmEEF1 | [protected] |
isValid() const | ParameterSection | [virtual] |
keys_ (defined in ParameterSection) | ParameterSection | [protected] |
MAX_FIELDS enum value (defined in ParameterSection) | ParameterSection | |
number_of_atom_types_ (defined in CharmmEEF1) | CharmmEEF1 | [protected] |
number_of_variables_ (defined in ParameterSection) | ParameterSection | [protected] |
operator=(const CharmmEEF1 &charmm_EEF1) | CharmmEEF1 | |
ParameterSection::operator=(const ParameterSection §ion) | ParameterSection | |
operator==(const CharmmEEF1 &charmm_EEF1) const | CharmmEEF1 | |
ParameterSection::operator==(const ParameterSection ¶meter_section) const | ParameterSection | |
options | ParameterSection | |
ParameterSection() | ParameterSection | |
ParameterSection(const ParameterSection ¶meter_section) | ParameterSection | |
R_min_ (defined in CharmmEEF1) | CharmmEEF1 | [protected] |
section_entries_ (defined in ParameterSection) | ParameterSection | [protected] |
section_name_ (defined in ParameterSection) | ParameterSection | [protected] |
sig_w_ (defined in CharmmEEF1) | CharmmEEF1 | [protected] |
UNDEFINED | ParameterSection | [static] |
V_ (defined in CharmmEEF1) | CharmmEEF1 | [protected] |
valid_ (defined in ParameterSection) | ParameterSection | [protected] |
variable_names_ (defined in ParameterSection) | ParameterSection | [protected] |
version_ (defined in ParameterSection) | ParameterSection | [protected] |
~CharmmEEF1() | CharmmEEF1 | [virtual] |
~ParameterSection() | ParameterSection | [virtual] |