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colvar_grid_count Member List

This is the complete list of members for colvar_grid_count, including all inherited members.
_get_keyval_scalar_(std::string const &conf, char const *key, TYPE &value, TYPE const &def_value, Parse_Mode const &parse_mode)colvarparse [protected]
_get_keyval_scalar_novalue_(std::string const &key_str, TYPE &value, Parse_Mode const &parse_mode)colvarparse [protected]
_get_keyval_scalar_novalue_(std::string const &key_str, bool &value, Parse_Mode const &parse_mode)colvarparse
_get_keyval_scalar_value_(std::string const &key_str, std::string const &data, TYPE &value, TYPE const &def_value)colvarparse [protected]
_get_keyval_scalar_value_(std::string const &key_str, std::string const &data, bool &value, bool const &)colvarparse
_get_keyval_vector_(std::string const &conf, char const *key, std::vector< TYPE > &values, std::vector< TYPE > const &def_values, Parse_Mode const &parse_mode)colvarparse [protected]
add_constant(size_t const &t)colvar_grid< size_t > [inline]
add_grid(colvar_grid< size_t > const &other_grid, cvm::real scale_factor=1.0)colvar_grid< size_t > [inline]
add_keyword(char const *key)colvarparse [protected]
address(std::vector< int > const &ix) constcolvar_grid< size_t > [inline, protected]
allowed_keywordscolvarparse [protected]
bin_distance_from_boundaries(std::vector< colvarvalue > const &values, bool skip_hard_boundaries=false)colvar_grid< size_t > [inline]
bin_to_value_scalar(int const &i_bin, int const i) constcolvar_grid< size_t > [inline]
bin_to_value_scalar(int const &i_bin, colvarvalue const &new_offset, cvm::real const &new_width) constcolvar_grid< size_t > [inline]
check_ascii(std::string const &conf)colvarparse [static]
check_braces(std::string const &conf, size_t const start_pos)colvarparse [static]
check_consistency()colvar_grid< size_t > [inline]
check_consistency(colvar_grid< size_t > const &other_grid)colvar_grid< size_t > [inline]
check_keywords(std::string &conf, char const *key)colvarparse
clear()colvarparse
clear_keyword_registry()colvarparse
colvar_grid()colvar_grid< size_t > [inline]
colvar_grid(colvar_grid< size_t > const &g)colvar_grid< size_t > [inline]
colvar_grid(std::vector< int > const &nx_i, size_t const &t=size_t(), size_t mult_i=1)colvar_grid< size_t > [inline]
colvar_grid(std::vector< colvar * > const &colvars, size_t const &t=size_t(), size_t mult_i=1, bool add_extra_bin=false)colvar_grid< size_t > [inline]
colvar_grid_count()colvar_grid_count
colvar_grid_count(std::vector< int > const &nx_i, size_t const &def_count=0)colvar_grid_count
colvar_grid_count(std::vector< colvar * > &colvars, size_t const &def_count=0, bool add_extra_bin=false)colvar_grid_count
colvarparams()colvarparams [protected]
colvarparse()colvarparse
colvarparse(const std::string &conf)colvarparse
config_stringcolvarparse [protected]
copy_grid(colvar_grid< size_t > const &other_grid)colvar_grid< size_t > [inline]
current_bin_scalar(int const i) constcolvar_grid< size_t > [inline]
current_bin_scalar(int const i, int const iv) constcolvar_grid< size_t > [inline]
current_bin_scalar_bound(int const i) constcolvar_grid< size_t > [inline]
current_bin_scalar_fraction(int const i) constcolvar_grid< size_t > [inline]
cvcolvar_grid< size_t > [protected]
datacolvar_grid< size_t > [protected]
data_begin_poscolvarparse [protected]
data_end_poscolvarparse [protected]
delta_grid(colvar_grid< size_t > const &other_grid)colvar_grid< size_t > [inline]
error_key_required(std::string const &key_str, Parse_Mode const &parse_mode)colvarparse [protected]
get_colvars_index(std::vector< colvarvalue > const &values) constcolvar_grid< size_t > [inline]
get_colvars_index() constcolvar_grid< size_t > [inline]
get_colvars_index_bound() constcolvar_grid< size_t > [inline]
get_config() constcolvarparse [inline]
get_key_string_multi_value(std::string const &conf, char const *key, std::vector< std::string > &data)colvarparse [protected]
get_key_string_value(std::string const &conf, char const *key, std::string &data)colvarparse [protected]
get_keyval(std::string const &conf, char const *key, int &value, int const &def_value=(int) 0, Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, size_t &value, size_t const &def_value=(size_t) 0, Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, long &value, long const &def_value=0, Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, cvm::step_number &value, cvm::step_number const &def_value=0, Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, std::string &value, std::string const &def_value=std::string(""), Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, cvm::real &value, cvm::real const &def_value=(cvm::real) 0.0, Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, cvm::rvector &value, cvm::rvector const &def_value=cvm::rvector(), Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, cvm::quaternion &value, cvm::quaternion const &def_value=cvm::quaternion(), Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, colvarvalue &value, colvarvalue const &def_value=colvarvalue(colvarvalue::type_notset), Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, bool &value, bool const &def_value=false, Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, std::vector< int > &values, std::vector< int > const &def_values=std::vector< int >(0,(int) 0), Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, std::vector< size_t > &values, std::vector< size_t > const &def_values=std::vector< size_t >(0,(size_t) 0), Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, std::vector< long > &values, std::vector< long > const &def_values=std::vector< long >(0,(long) 0), Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, std::vector< std::string > &values, std::vector< std::string > const &def_values=std::vector< std::string >(0, std::string("")), Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, std::vector< cvm::real > &values, std::vector< cvm::real > const &def_values=std::vector< cvm::real >(0,(cvm::real) 0.0), Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, std::vector< cvm::rvector > &values, std::vector< cvm::rvector > const &def_values=std::vector< cvm::rvector >(0, cvm::rvector()), Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, std::vector< cvm::quaternion > &values, std::vector< cvm::quaternion > const &def_values=std::vector< cvm::quaternion >(0, cvm::quaternion()), Parse_Mode const parse_mode=parse_normal)colvarparse
get_keyval(std::string const &conf, char const *key, std::vector< colvarvalue > &values, std::vector< colvarvalue > const &def_values=std::vector< colvarvalue >(0, colvarvalue(colvarvalue::type_notset)), Parse_Mode const parse_mode=parse_normal)colvarparse
get_param(std::string const &param_name)colvarparams [virtual]
get_param_grad_names()colvarparams [virtual]
get_param_grad_ptr(std::string const &param_name)colvarparams [virtual]
get_param_names()colvarparams [virtual]
get_param_ptr(std::string const &param_name)colvarparams [virtual]
getline_nocomments(std::istream &is, std::string &s)colvarparse [static]
gradient_finite_diff(const std::vector< int > &ix0, int n=0)colvar_grid_count [inline]
hard_lower_boundariescolvar_grid< size_t >
hard_upper_boundariescolvar_grid< size_t >
has_datacolvar_grid< size_t >
has_parent_datacolvar_grid< size_t >
incr(std::vector< int > &ix) constcolvar_grid< size_t > [inline]
incr_count(std::vector< int > const &ix)colvar_grid_count [inline]
index_ok(std::vector< int > const &ix) constcolvar_grid< size_t > [inline]
init_from_boundaries()colvar_grid< size_t > [inline]
init_from_colvars(std::vector< colvar * > const &colvars, size_t mult_i=1, bool add_extra_bin=false)colvar_grid< size_t > [inline]
key_already_set(std::string const &key_str)colvarparse [protected]
key_lookup(std::string const &conf, char const *key, std::string *data=NULL, size_t *save_pos=NULL)colvarparse
key_not_set enum valuecolvarparse [protected]
key_set_default enum valuecolvarparse [protected]
key_set_mode enum namecolvarparse [protected]
key_set_modescolvarparse [protected]
key_set_user enum valuecolvarparse [protected]
keyword_delimiters_leftcolvarparse [protected]
keyword_delimiters_rightcolvarparse [protected]
log_gradient_finite_diff(const std::vector< int > &ix0, int n=0)colvar_grid_count [inline]
lower_boundariescolvar_grid< size_t >
map_grid(colvar_grid< size_t > const &other_grid)colvar_grid< size_t > [inline]
mark_key_set_default(std::string const &key_str, TYPE const &def_value, Parse_Mode const &parse_mode)colvarparse [protected]
mark_key_set_user(std::string const &key_str, TYPE const &value, Parse_Mode const &parse_mode)colvarparse [protected]
multcolvar_grid< size_t > [protected]
multiplicity() constcolvar_grid< size_t > [inline]
multiply_constant(cvm::real const &a)colvar_grid< size_t > [inline]
ndcolvar_grid< size_t > [protected]
new_count(std::vector< int > const &ix, size_t const &imult=0)colvar_grid_count [inline]
new_datacolvar_grid< size_t > [protected]
new_index() constcolvar_grid< size_t > [inline]
ntcolvar_grid< size_t > [protected]
num_variables() constcolvar_grid< size_t > [inline]
number_of_points(int const icv=-1) constcolvar_grid< size_t > [inline]
number_of_points_vec() constcolvar_grid< size_t > [inline]
nxcolvar_grid< size_t > [protected]
nxccolvar_grid< size_t > [protected]
param_exists(std::string const &param_name)colvarparams
param_grad_mapcolvarparams [protected]
param_mapcolvarparams [protected]
parse_deprecated enum valuecolvarparse
parse_deprecation_warning enum valuecolvarparse
parse_echo enum valuecolvarparse
parse_echo_default enum valuecolvarparse
Parse_Mode enum namecolvarparse
parse_normal enum valuecolvarparse
parse_null enum valuecolvarparse
parse_override enum valuecolvarparse
parse_params(std::string const &conf, colvarparse::Parse_Mode const parse_mode=colvarparse::parse_normal)colvar_grid< size_t > [inline]
parse_required enum valuecolvarparse
parse_restart enum valuecolvarparse
parse_silent enum valuecolvarparse
periodiccolvar_grid< size_t >
raw_data_in(const size_t *in_data)colvar_grid< size_t > [inline]
raw_data_in(const std::vector< size_t > &in_data)colvar_grid< size_t > [inline]
raw_data_num() constcolvar_grid< size_t > [inline]
raw_data_out(size_t *out_data) constcolvar_grid< size_t > [inline]
raw_data_out(std::vector< size_t > &out_data) constcolvar_grid< size_t > [inline]
read_config_line(std::istream &is, std::string &line)colvarparse
read_multicol(std::istream &is, bool add=false)colvar_grid_count
read_multicol(std::string const &filename, std::string description="grid file", bool add=false)colvar_grid_count
read_raw(std::istream &is)colvar_grid< size_t > [inline]
read_restart(std::istream &is)colvar_grid< size_t > [inline]
register_param(std::string const &param_name, void *param_ptr)colvarparams [protected]
register_param_grad(std::string const &param_name, colvarvalue *param_grad_ptr)colvarparams [protected]
remove_small_values(cvm::real const &a)colvar_grid< size_t > [inline]
request_actual_value(bool b=true)colvar_grid< size_t > [inline]
reset(size_t const &t=size_t())colvar_grid< size_t > [inline]
set_param(std::string const &param_name, void const *new_value)colvarparams [virtual]
set_sizes(std::vector< int > const &new_sizes)colvar_grid< size_t > [inline]
set_string(std::string const &conf)colvarparse
set_value(std::vector< int > const &ix, size_t const &t, size_t const &imult=0)colvar_grid< size_t > [inline]
set_value(size_t i, size_t const &t)colvar_grid< size_t > [inline]
setup(std::vector< int > const &nx_i, size_t const &t=size_t(), size_t const &mult_i=1)colvar_grid< size_t > [inline]
setup()colvar_grid< size_t > [inline]
sizes() constcolvar_grid< size_t > [inline]
split_string(const std::string &data, const std::string &delim, std::vector< std::string > &dest)colvarparse [static]
strip_values(std::string &conf)colvarparse [protected]
to_lower_cppstr(std::string const &in)colvarparse [inline, static]
upper_boundariescolvar_grid< size_t >
use_actual_valuecolvar_grid< size_t > [protected]
value(std::vector< int > const &ix, size_t const &imult=0) constcolvar_grid< size_t > [inline]
value(size_t i) constcolvar_grid< size_t > [inline]
value_input(std::vector< int > const &ix, size_t const &t, size_t const &imult=0, bool add=false)colvar_grid_count [inline, virtual]
value_output(std::vector< int > const &ix, size_t const &imult=0) constcolvar_grid< size_t > [inline, virtual]
value_to_bin_scalar(colvarvalue const &value, const int i) constcolvar_grid< size_t > [inline]
value_to_bin_scalar(colvarvalue const &value, colvarvalue const &new_offset, cvm::real const &new_width) constcolvar_grid< size_t > [inline]
value_to_bin_scalar_bound(colvarvalue const &value, const int i) constcolvar_grid< size_t > [inline]
value_to_bin_scalar_fraction(colvarvalue const &value, const int i) constcolvar_grid< size_t > [inline]
white_spacecolvarparse [static]
widthscolvar_grid< size_t >
wrap(std::vector< int > &ix) constcolvar_grid< size_t > [inline]
wrap_edge(std::vector< int > &ix) constcolvar_grid< size_t > [inline]
write_multicol(std::ostream &os) constcolvar_grid_count
write_multicol(std::string const &filename, std::string description="grid file") constcolvar_grid_count
write_opendx(std::ostream &os) constcolvar_grid_count
write_opendx(std::string const &filename, std::string description="grid file") constcolvar_grid_count
write_params(std::ostream &os)colvar_grid< size_t > [inline]
write_raw(std::ostream &os, size_t const buf_size=3) constcolvar_grid< size_t > [inline]
write_restart(std::ostream &os)colvar_grid< size_t > [inline]
~colvar_grid()colvar_grid< size_t > [inline, virtual]
~colvar_grid_count()colvar_grid_count [inline, virtual]
~colvarparams()colvarparams [protected, virtual]
~colvarparse()colvarparse [virtual]

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