acos(real const &x) | colvarmodule | inlinestatic |
analyze() | colvarmodule | |
append_new_config(std::string const &conf) | colvarmodule | |
asin(real const &x) | colvarmodule | inlinestatic |
atan2(real const &x, real const &y) | colvarmodule | inlinestatic |
atom_const_iter typedef (defined in colvarmodule) | colvarmodule | |
atom_group_by_name(std::string const &name) | colvarmodule | static |
atom_iter typedef (defined in colvarmodule) | colvarmodule | |
atom_pos typedef | colvarmodule | |
backup_file(char const *filename) | colvarmodule | static |
bias_by_name(std::string const &name) | colvarmodule | static |
biases | colvarmodule | |
biases_active() | colvarmodule | |
biases_active_ | colvarmodule | private |
binary_restart (defined in colvarmodule) | colvarmodule | |
calc() | colvarmodule | |
calc_biases() | colvarmodule | |
calc_colvars() | colvarmodule | |
calc_scripted_forces() | colvarmodule | |
catch_input_errors(int result) | colvarmodule | private |
change_configuration(std::string const &bias_name, std::string const &conf) | colvarmodule | |
check_new_bias(std::string &conf, char const *key) | colvarmodule | private |
cite_feature(std::string const &feature) | colvarmodule | |
clear_error() (defined in colvarmodule) | colvarmodule | static |
close_traj_file() | colvarmodule | |
colvar_by_name(std::string const &name) | colvarmodule | static |
colvarmodule(colvarproxy *proxy) | colvarmodule | |
colvarmodule() | colvarmodule | private |
colvars | colvarmodule | private |
colvars_active | colvarmodule | private |
colvars_smp | colvarmodule | private |
colvars_smp_items | colvarmodule | private |
config_changed() | colvarmodule | |
config_string | colvarmodule | private |
cos(real const &x) | colvarmodule | inlinestatic |
cv_prec | colvarmodule | static |
cv_traj_freq | colvarmodule | static |
cv_traj_name | colvarmodule | protected |
cv_traj_write_labels | colvarmodule | protected |
cv_width | colvarmodule | static |
cvm_output_prefix | colvarmodule | private |
debug() | colvarmodule | inlinestatic |
debug_gradients_step_size | colvarmodule | static |
decrease_depth() | colvarmodule | static |
default_input_state_file_ | colvarmodule | private |
depth() | colvarmodule | static |
depth_s | colvarmodule | protected |
depth_v | colvarmodule | protected |
dt() | colvarmodule | static |
en_prec | colvarmodule | static |
en_width | colvarmodule | static |
end_of_step() | colvarmodule | |
energy_difference(std::string const &bias_name, std::string const &conf) | colvarmodule | |
error(std::string const &message, int code=-1) | colvarmodule | static |
errorCode | colvarmodule | privatestatic |
exp(real const &x) | colvarmodule | inlinestatic |
extra_conf | colvarmodule | private |
fabs(real const &x) | colvarmodule | inlinestatic |
feature_report(int flag=0) | colvarmodule | |
floor(real const &x) | colvarmodule | inlinestatic |
get_config() const | colvarmodule | |
get_error() (defined in colvarmodule) | colvarmodule | inlinestatic |
get_error_bit(int code) (defined in colvarmodule) | colvarmodule | static |
getline(std::istream &is, std::string &line) | colvarmodule | static |
increase_depth() | colvarmodule | static |
index_file_names | colvarmodule | |
index_group_names | colvarmodule | |
index_groups | colvarmodule | |
input_state_buffer_ | colvarmodule | private |
integer_power(real const &x, int const n) | colvarmodule | inlinestatic |
it | colvarmodule | static |
it_restart | colvarmodule | static |
it_width | colvarmodule | static |
line_marker | 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, bool keep_open=false) | colvarmodule | |
log(std::string const &message, int min_log_level=10) | colvarmodule | static |
log_default_params() | colvarmodule | inlinestatic |
log_init_messages() | colvarmodule | inlinestatic |
log_input_files() | colvarmodule | inlinestatic |
log_level() | colvarmodule | inlinestatic |
log_level_ | colvarmodule | privatestatic |
log_output_files() | colvarmodule | inlinestatic |
log_user_params() | colvarmodule | inlinestatic |
logn(real const &x) | colvarmodule | inlinestatic |
main() | colvarmodule | static |
named_atom_groups | colvarmodule | private |
num_biases() const | colvarmodule | |
num_biases_feature(int feature_id) const | colvarmodule | |
num_biases_type(std::string const &type) const | colvarmodule | |
num_biases_types_used_ | colvarmodule | private |
num_variables() const | colvarmodule | |
num_variables_feature(int feature_id) const | colvarmodule | |
open_traj_file(std::string const &file_name) | colvarmodule | |
output_prefix() | colvarmodule | inlinestatic |
parse | colvarmodule | protected |
parse_biases(std::string const &conf) | colvarmodule | |
parse_biases_type(std::string const &conf, char const *keyword) | colvarmodule | private |
parse_colvars(std::string const &conf) | colvarmodule | |
parse_config(std::string &conf) | colvarmodule | |
parse_global_params(std::string const &conf) | colvarmodule | |
patch_version_int | colvarmodule | private |
patch_version_number() const | colvarmodule | inline |
position_distance(atom_pos const &pos1, atom_pos const &pos2) | colvarmodule | static |
pow(real const &x, real const &y) | colvarmodule | inlinestatic |
print_total_forces_errning(bool warn_total_forces) | colvarmodule | |
proxy | colvarmodule | static |
rand_gaussian() | 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_objects_state(memory_stream &is) | colvarmodule | |
read_state(std::istream &is) | colvarmodule | |
read_state(memory_stream &is) | colvarmodule | |
read_state_template_(IST &is) (defined in colvarmodule) | colvarmodule | private |
read_traj(char const *traj_filename, long traj_read_begin, long traj_read_end) | colvarmodule | |
real typedef | colvarmodule | |
register_named_atom_group(atom_group *ag) | colvarmodule | |
request_total_force() | colvarmodule | static |
reset() | colvarmodule | |
reset_index_groups() | colvarmodule | |
residue_id typedef | colvarmodule | |
restart_out_freq | colvarmodule | static |
restart_out_name | colvarmodule | |
restart_version() const | colvarmodule | inline |
restart_version_int | colvarmodule | protected |
restart_version_number() const | colvarmodule | inline |
restart_version_str | colvarmodule | protected |
run_tcl_script(std::string const &filename) | colvarmodule | |
scripted_forces() (defined in colvarmodule) | colvarmodule | inlinestatic |
scripting_after_biases | colvarmodule | static |
set_error_bits(int code) (defined in colvarmodule) | colvarmodule | static |
set_initial_step(step_number it) | colvarmodule | |
set_input_state_buffer(size_t n, unsigned char *buf) | colvarmodule | |
set_input_state_buffer(std::vector< unsigned char > &buf) | colvarmodule | |
setup_input() | colvarmodule | |
setup_output() | colvarmodule | |
sin(real const &x) | colvarmodule | inlinestatic |
size() const | colvarmodule | |
source_Tcl_script | colvarmodule | private |
sqrt(real const &x) | colvarmodule | inlinestatic |
state_file_prefix(char const *filename) | colvarmodule | static |
step_absolute() | colvarmodule | inlinestatic |
step_number typedef | colvarmodule | |
step_relative() | colvarmodule | inlinestatic |
time_dependent_biases() const | colvarmodule | |
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_energy | colvarmodule | |
unregister_named_atom_group(atom_group *ag) | colvarmodule | |
update_colvar_forces() | colvarmodule | |
update_engine_parameters() | colvarmodule | |
usage_ | colvarmodule | protected |
use_scripted_forces | colvarmodule | static |
variables() | colvarmodule | |
variables_active() | colvarmodule | |
variables_active_smp() | colvarmodule | |
variables_active_smp_items() | colvarmodule | |
version() const | colvarmodule | inline |
version_int | colvarmodule | private |
version_number() const | colvarmodule | inline |
wrap_string(std::string const &s, size_t nchars) | colvarmodule | static |
write_output_files() | colvarmodule | |
write_restart_file(std::string const &out_name) | colvarmodule | |
write_restart_string(std::string &output) | colvarmodule | |
write_state(std::ostream &os) | colvarmodule | |
write_state(memory_stream &os) | colvarmodule | |
write_state_buffer(std::vector< unsigned char > &buffer) | colvarmodule | |
write_state_template_(OST &os) (defined in colvarmodule) | colvarmodule | private |
write_traj(std::ostream &os) | colvarmodule | |
write_traj_files() | colvarmodule | |
write_traj_label(std::ostream &os) | colvarmodule | |
xyz_reader_use_count | colvarmodule | protected |
~colvarmodule() | colvarmodule | |