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colvarmodule Member List

This is the complete list of members for colvarmodule, including all inherited members.
acos(real const &x)colvarmodule [inline, static]
analyze()colvarmodule
append_new_config(std::string const &conf)colvarmodule
asin(real const &x)colvarmodule [inline, static]
atan2(real const &x, real const &y)colvarmodule [inline, static]
atom classcolvarmodule [friend]
atom_const_iter typedefcolvarmodule
atom_group classcolvarmodule [friend]
atom_group_by_name(std::string const &name)colvarmodule [static]
atom_iter typedefcolvarmodule
atom_pos typedefcolvarmodule
backup_file(char const *filename)colvarmodule [static]
bias_by_name(std::string const &name)colvarmodule [static]
biasescolvarmodule
biases_active()colvarmodule
calc()colvarmodule
calc_biases()colvarmodule
calc_colvars()colvarmodule
calc_scripted_forces()colvarmodule
change_configuration(std::string const &bias_name, std::string const &conf)colvarmodule
cite_feature(std::string const &feature)colvarmodule
clear_error()colvarmodule [static]
close_traj_file()colvarmodule
colvar_by_name(std::string const &name)colvarmodule [static]
colvarmodule(colvarproxy *proxy)colvarmodule
colvarproxy classcolvarmodule [friend]
colvarscript classcolvarmodule [friend]
config_changed()colvarmodule
cos(real const &x)colvarmodule [inline, static]
cv_preccolvarmodule [static]
cv_traj_freqcolvarmodule [static]
cv_traj_namecolvarmodule [protected]
cv_traj_write_labelscolvarmodule [protected]
cv_widthcolvarmodule [static]
debug()colvarmodule [inline, static]
debug_gradients_step_sizecolvarmodule [static]
decrease_depth()colvarmodule [static]
depth()colvarmodule [static]
depth_scolvarmodule [protected]
depth_vcolvarmodule [protected]
dt()colvarmodule [static]
en_preccolvarmodule [static]
en_widthcolvarmodule [static]
end_of_step()colvarmodule
energy_difference(std::string const &bias_name, std::string const &conf)colvarmodule
error(std::string const &message, int code=COLVARS_ERROR)colvarmodule [static]
exp(real const &x)colvarmodule [inline, static]
fabs(real const &x)colvarmodule [inline, static]
feature_report(int flag=0)colvarmodule
floor(real const &x)colvarmodule [inline, static]
get_config() constcolvarmodule
get_error()colvarmodule [inline, static]
get_error_bit(int code)colvarmodule [static]
getline(std::istream &is, std::string &line)colvarmodule [static]
increase_depth()colvarmodule [static]
index_file_namescolvarmodule
index_group_namescolvarmodule
index_groupscolvarmodule
integer_power(real const &x, int const n)colvarmodule [inline, static]
itcolvarmodule [static]
it_restartcolvarmodule [static]
it_widthcolvarmodule [static]
line_markercolvarmodule [static]
load_atoms(char const *filename, atom_group &atoms, std::string const &pdb_field, double pdb_field_value=0.0)colvarmodule [static]
load_coords(char const *filename, std::vector< rvector > *pos, atom_group *atoms, std::string const &pdb_field, double pdb_field_value=0.0)colvarmodule [static]
load_coords_xyz(char const *filename, std::vector< rvector > *pos, atom_group *atoms)colvarmodule
log(std::string const &message, int min_log_level=10)colvarmodule [static]
log_default_params()colvarmodule [inline, static]
log_init_messages()colvarmodule [inline, static]
log_input_files()colvarmodule [inline, static]
log_level()colvarmodule [inline, static]
log_output_files()colvarmodule [inline, static]
log_user_params()colvarmodule [inline, static]
logn(real const &x)colvarmodule [inline, static]
main()colvarmodule [static]
num_biases() constcolvarmodule
num_biases_feature(int feature_id) constcolvarmodule
num_biases_type(std::string const &type) constcolvarmodule
num_variables() constcolvarmodule
num_variables_feature(int feature_id) constcolvarmodule
open_traj_file(std::string const &file_name)colvarmodule
output_prefix()colvarmodule [inline, static]
parsecolvarmodule [protected]
parse_biases(std::string const &conf)colvarmodule
parse_colvars(std::string const &conf)colvarmodule
parse_config(std::string &conf)colvarmodule
parse_global_params(std::string const &conf)colvarmodule
position_distance(atom_pos const &pos1, atom_pos const &pos2)colvarmodule [static]
pow(real const &x, real const &y)colvarmodule [inline, static]
print_total_forces_errning(bool warn_total_forces)colvarmodule
proxycolvarmodule [static]
rand_gaussian(void)colvarmodule [static]
read_colvar(std::string const &name)colvarmodule
read_config_file(char const *config_file_name)colvarmodule
read_config_string(std::string const &conf)colvarmodule
read_index_file(char const *filename)colvarmodule
read_objects_state(std::istream &is)colvarmodule
read_restart(std::istream &is)colvarmodule
read_traj(char const *traj_filename, long traj_read_begin, long traj_read_end)colvarmodule
real typedefcolvarmodule
register_named_atom_group(atom_group *ag)colvarmodule
request_total_force()colvarmodule [static]
reset()colvarmodule
reset_index_groups()colvarmodule
residue_id typedefcolvarmodule
restart_out_freqcolvarmodule [static]
restart_out_namecolvarmodule
restart_version() constcolvarmodule [inline]
restart_version_intcolvarmodule [protected]
restart_version_number() constcolvarmodule [inline]
restart_version_strcolvarmodule [protected]
run_tcl_script(std::string const &filename)colvarmodule
scripted_forces()colvarmodule [inline, static]
scripting_after_biasescolvarmodule [static]
set_error_bits(int code)colvarmodule [static]
setup_input()colvarmodule
setup_output()colvarmodule
sin(real const &x)colvarmodule [inline, static]
size() constcolvarmodule
sqrt(real const &x)colvarmodule [inline, static]
state_file_prefix(char const *filename)colvarmodule [static]
step_absolute()colvarmodule [inline, static]
step_number typedefcolvarmodule
step_relative()colvarmodule [inline, static]
time_dependent_biases() constcolvarmodule
to_str(char const *s)colvarmodule [static]
to_str(std::string const &s)colvarmodule [static]
to_str(bool x)colvarmodule [static]
to_str(int const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(size_t const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(long int const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(step_number const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(real const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(rvector const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(quaternion const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(colvarvalue const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(vector1d< real > const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(matrix2d< real > const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(std::vector< int > const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(std::vector< size_t > const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(std::vector< long int > const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(std::vector< real > const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(std::vector< rvector > const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(std::vector< quaternion > const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(std::vector< colvarvalue > const &x, size_t width=0, size_t prec=0)colvarmodule [static]
to_str(std::vector< std::string > const &x, size_t width=0, size_t prec=0)colvarmodule [static]
total_bias_energycolvarmodule
unregister_named_atom_group(atom_group *ag)colvarmodule
update_colvar_forces()colvarmodule
update_engine_parameters()colvarmodule
usage_colvarmodule [protected]
use_scripted_forcescolvarmodule [static]
variables()colvarmodule
variables_active()colvarmodule
variables_active_smp()colvarmodule
variables_active_smp_items()colvarmodule
version() constcolvarmodule [inline]
version_number() constcolvarmodule [inline]
wrap_string(std::string const &s, size_t nchars)colvarmodule [static]
write_output_files()colvarmodule
write_restart(std::ostream &os)colvarmodule
write_restart_file(std::string const &out_name)colvarmodule
write_restart_string(std::string &output)colvarmodule
write_traj(std::ostream &os)colvarmodule
write_traj_files()colvarmodule
write_traj_label(std::ostream &os)colvarmodule
xyz_reader_use_countcolvarmodule [protected]
~colvarmodule()colvarmodule

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