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Functions1,368 in github.com/Colvars/colvars

⨍ Functions 1,368◇ Types & classes 209

Methodcalc_hills

src/colvarbias_meta.cpp:768

Methodcalc_hills_force

src/colvarbias_meta.cpp:798

Methodcalc_p2coor_acf

src/colvar.cpp:2597

Methodcalc_runave

src/colvar.cpp:2677

Methodcalc_value

src/colvarcomp_protein.cpp:143

Methodcalc_value

src/colvarcomp.h:1418

Methodcalc_value

src/colvarcomp_coordnums.cpp:268

Methodcalc_value

src/colvarcomp_volmaps.cpp:45

Methodcalc_value

src/colvarcomp_rotations.cpp:103

Methodcalc_value

src/colvarcomp_distances.cpp:49

Methodcalc_value

src/colvarcomp_angles.cpp:53

Methodcalc_vel_acf

src/colvar.cpp:2552

Functioncalculate

namd/src/colvarproxy_namd.C:278

Methodcan_accumulate_data

src/colvarbias.cpp:323

Methodcartesian

src/colvarcomp_distances.cpp:1500

Methodcatch_input_errors

src/colvarmodule.cpp:571

Methodcenter_of_mass_scalar_gradient

\brief Return previously gradient of scalar variable with respect to the COM

src/colvaratoms.h:466

Methodchange_configuration

src/colvarbias_restraint.cpp:138

Methodchange_configuration

src/colvarmodule.cpp:643

Methodchange_configuration

Load new configuration - force constant and/or centers only

src/colvarbias_restraint.h:29

Methodchange_configuration

src/colvarbias_restraint.h:108

Methodchange_configuration

src/colvarbias_restraint.h:150

Methodchange_configuration

src/colvarbias_restraint.h:189

Methodcheck_atom_id

lammps/src/USER-COLVARS/colvarproxy_lammps.cpp:406

Methodcheck_bias_cmd_nargs

src/colvarscript.h:339

Methodcheck_braces

src/colvarparse.cpp:909

Methodcheck_cmd_nargs

src/colvarscript.h:301

Methodcheck_colvar_cmd_nargs

src/colvarscript.h:330

Methodcheck_cvc_range

src/colvar.cpp:1339

Methodcheck_enabled

\brief Check that a feature is enabled, raising BUG_ERROR if not

src/colvardeps.h:417

Methodcheck_module_cmd_nargs

src/colvarscript.h:321

Methodcheck_new_bias

src/colvarmodule.cpp:399

Methodcheck_sizes

src/colvartypes.h:106

Methodcheck_sizes

src/colvartypes.h:527

Methodcheck_types

src/colvarvalue.h:433

Methodcheck_types_assign

src/colvarvalue.h:476

Functionclear_atom

namd/src/colvarproxy_namd.C:759

Functionclear_atom_group

namd/src/colvarproxy_namd.C:1194

Methodclear_error

src/colvarmodule.cpp:1742

Methodclear_state_data

src/colvarbias_meta.cpp:341

Methodclear_state_data

src/colvarbias.cpp:262

Methodclear_str_result

src/colvarscript.cpp:449

Methodclear_volmap

src/colvarproxy_volmaps.cpp:71

Methodclose_files

src/colvarproxy.cpp:610

Functionclose_output_stream

namd/src/colvarproxy_namd.C:1057

Methodclose_traj_file

src/colvarmodule.cpp:1608

Methodcmd_arg_shift

src/colvarscript.h:349

Methodcollect_cvc_Jacobians

src/colvar.cpp:1585

Methodcollect_cvc_gradients

src/colvar.cpp:1488

Methodcollect_cvc_total_forces

src/colvar.cpp:1534

Methodcollect_cvc_values

src/colvar.cpp:1381

Methodcollect_gradients

src/colvarcomp_protein.cpp:198

src/colvar.cpp:23

Methodcolvar_by_name

src/colvarmodule.cpp:597

Methodcolvar_distance

src/colvarbias_restraint.cpp:1021

Methodcolvar_grid

Default constructor

src/colvargrid.h:198

Methodcolvar_grid_count

src/colvargrid.cpp:19

Methodcolvar_grid_gradient

src/colvargrid.cpp:124

Methodcolvar_grid_scalar

src/colvargrid.cpp:36

Functioncolvar_obj

Get a pointer to the colvar object pointed to by pobj

src/colvarscript.h:255

Methodcolvarbias

src/colvarbias.cpp:20

Methodcolvarbias_abf

src/colvarbias_abf.cpp:15

Methodcolvarbias_alb

src/colvarbias_alb.cpp:31

Methodcolvarbias_histogram

src/colvarbias_histogram.cpp:16

Methodcolvarbias_meta

src/colvarbias_meta.cpp:35

Functioncolvarbias_obj

Get a pointer to the colvarbias object pointed to by pobj

src/colvarscript.h:262

Methodcolvarbias_restraint

src/colvarbias_restraint.cpp:17

Methodcolvarbias_restraint_centers

src/colvarbias_restraint.cpp:92

Methodcolvarbias_restraint_centers_moving

src/colvarbias_restraint.cpp:252

Methodcolvarbias_restraint_harmonic

src/colvarbias_restraint.cpp:709

Methodcolvarbias_restraint_harmonic_walls

src/colvarbias_restraint.cpp:861

Methodcolvarbias_restraint_histogram

src/colvarbias_restraint.cpp:1287

Methodcolvarbias_restraint_k

src/colvarbias_restraint.cpp:151

Methodcolvarbias_restraint_k_moving

src/colvarbias_restraint.cpp:491

Methodcolvarbias_restraint_linear

src/colvarbias_restraint.cpp:1130

Methodcolvarbias_restraint_moving

src/colvarbias_restraint.cpp:178

Methodcolvarbias_ti

src/colvarbias.cpp:643

Methodcolvardeps

src/colvardeps.cpp:16

Methodcolvarmodule

src/colvarmodule.cpp:28

Methodcolvarparams

src/colvarparams.cpp:20

Methodcolvarparse

src/colvarparse.cpp:35

Methodcolvarproxy

src/colvarproxy.cpp:595

Methodcolvarproxy_atom_groups

src/colvarproxy.cpp:236

Methodcolvarproxy_atoms

src/colvarproxy.cpp:143

Methodcolvarproxy_gromacs

colvarproxy_gromacs

gromacs/src/colvarproxy_gromacs.cpp:105

Methodcolvarproxy_io

src/colvarproxy.cpp:512

Methodcolvarproxy_lammps

lammps/src/USER-COLVARS/colvarproxy_lammps.h:64

Methodcolvarproxy_lammps

lammps/src/USER-COLVARS/colvarproxy_lammps.cpp:60

Methodcolvarproxy_replicas

src/colvarproxy_replicas.cpp:14

Methodcolvarproxy_script

src/colvarproxy.cpp:464

Methodcolvarproxy_smp

src/colvarproxy.cpp:300

Methodcolvarproxy_system

src/colvarproxy.cpp:30

Methodcolvarproxy_tcl

src/colvarproxy_tcl.cpp:24

Methodcolvarproxy_volmaps

src/colvarproxy_volmaps.cpp:14

Functioncolvars_potential

gromacs/src/colvarproxy_gromacs.cpp:48

Methodcolvarscript

src/colvarscript.h:35

Methodcolvarscript

src/colvarscript.cpp:26

Methodcolvarvalue

\brief Default constructor: this class defaults to a scalar number and always behaves like it unless you change its type

src/colvarvalue.h:121

Methodcolvarvalue

src/colvarvalue.cpp:226

Methodcommunicate_forces

src/colvarbias.cpp:350

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