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Functions1,368 in github.com/Colvars/colvars

⨍ Functions 1,368◇ Types & classes 209

Methodoperator -=

src/colvarvalue.h:566

Functionoperator /

src/colvarvalue.cpp:513

Methodoperator /

src/colvartypes.h:187

Methodoperator /

src/colvartypes.h:613

Methodoperator /

src/colvartypes.h:859

Methodoperator /

src/colvartypes.h:1199

Methodoperator /=

src/colvartypes.h:140

Methodoperator /=

src/colvartypes.h:566

Methodoperator /=

src/colvartypes.h:789

Methodoperator /=

src/colvartypes.h:1131

Methodoperator /=

src/colvarvalue.h:617

Methodoperator <

Comparison operator

src/colvarbias_meta.h:363

Methodoperator <=

Comparison operator

src/colvarbias_meta.h:370

Methodoperator ==

Comparison operator

src/colvarbias_meta.h:391

Methodoperator >

Comparison operator

src/colvarbias_meta.h:377

Methodoperator >=

Comparison operator

src/colvarbias_meta.h:384

Methodoperator []

\brief Access cartesian components by index

src/colvartypes.h:755

Methodoperator []

Access the quaternion as a 4-d array (return a value)

src/colvartypes.h:1081

Methodoperator []

src/colvarvalue.h:387

Functionoperator |

Bitwise OR between two Parse_mode flags

src/colvarparse.h:366

Methodoperator()

src/colvar_geometricpath.h:30

Methodorientation

src/colvarcomp_rotations.cpp:18

Methodorientation_angle

src/colvarcomp_rotations.cpp:163

Methodorientation_proj

src/colvarcomp_rotations.cpp:219

src/colvartypes.h:818

Methodoutput_width

src/colvartypes.h:264

Methodoutput_width

src/colvartypes.h:812

Methodoutput_width

Tell the number of characters required to print a quaternion, given that of a real number

src/colvartypes.h:1050

src/colvaratoms.cpp:928

Methodp2leg_opt

src/colvarvalue.cpp:884

Methodparse_analysis

src/colvar.cpp:957

Methodparse_biases

src/colvarmodule.cpp:443

Methodparse_biases_type

src/colvarmodule.cpp:413

Methodparse_colvars

src/colvarmodule.cpp:351

Methodparse_config

src/colvarmodule.cpp:201

Methodparse_fitting_options

src/colvaratoms.cpp:761

Methodparse_global_params

src/colvarmodule.cpp:271

Methodparse_group

src/colvarcomp.cpp:134

Functionpdb_field_str2enum

gromacs/src/colvarproxy_gromacs.cpp:453

Functionpme_select

namd/src/SimParameters.C:396

Methodpolar_phi

src/colvarcomp_angles.cpp:568

Methodpolar_theta

src/colvarcomp_angles.cpp:516

Methodposition_distance

PERIODIC BOUNDARY CONDITIONS Get the PBC-aware distance vector between two positions

gromacs/src/colvarproxy_gromacs.cpp:242

Methodposition_distance

src/colvarproxy.cpp:107

Methodposition_distance

src/colvarmodule.cpp:2000

Methodposition_distance

lammps/src/USER-COLVARS/colvarproxy_lammps.cpp:298

Methodpost_force

---------------------------------------------------------------------- */ Main colvars handler: * Send coodinates and add colvar forces to atoms. */

lammps/src/USER-COLVARS/fix_colvars.cpp:696

Methodpost_force_respa

---------------------------------------------------------------------- */

lammps/src/USER-COLVARS/fix_colvars.cpp:867

src/colvarproxy.cpp:663

lammps/src/USER-COLVARS/fix_colvars.cpp:987

Reimplemented to work around MS compiler issues

src/colvarmodule.h:118

MethodprepareVectors

src/colvarcomp_gpath.cpp:163

Methodprint_atom_ids

src/colvaratoms.cpp:746

Methodprint_total_forces_errning

src/colvarmodule.cpp:1428

Promote a 3-vector to a quaternion

src/colvartypes.h:1155

Functionpython_tcl_call

namd/src/ScriptTcl.C:209

Functionpython_tcl_eval

namd/src/ScriptTcl.C:222

Functionpython_tcl_write

namd/src/ScriptTcl.C:233

Methodquaternion

Constructor from a 3-d vector

src/colvartypes.h:982

Methodrand_gaussian

namd/src/colvarproxy_namd.h:110

Methodrand_gaussian

gromacs/src/colvarproxy_gromacs.cpp:228

Methodrand_gaussian

src/colvarmodule.cpp:2007

Methodrand_gaussian

lammps/src/USER-COLVARS/colvarproxy_lammps.h:112

Methodread_block

src/colvarparse.cpp:843

Methodread_gradients_samples

src/colvarbias_abf.cpp:688

Methodread_index_file

src/colvarmodule.cpp:1765

Methodread_inputfiles

read input files

src/colvar_UIestimator.h:671

Methodread_position

gromacs/src/colvarproxy_gromacs.cpp:538

Methodread_replica_files

src/colvarbias_meta.cpp:1148

Methodread_total_force

gromacs/src/colvarproxy_gromacs.cpp:549

Methodread_traj

src/colvarmodule.cpp:1476

Methodread_velocities

src/colvaratoms.cpp:1062

Methodread_velocity

gromacs/src/colvarproxy_gromacs.cpp:544

Functionreceive_SimParameters

namd/src/SimParameters.C:7041

Methodrecount_hills_off_grid

src/colvarbias_meta.cpp:979

Methodregister_atom_group

src/colvarcomp.cpp:336

Functionregister_cb

namd/src/ScriptTcl.C:56

Methodregister_param

src/colvarparams.cpp:28

Methodregister_param_grad

src/colvarparams.cpp:35

FunctionreinitAtoms

namd/src/ScriptTcl.C:134

Methodremove_atom

src/colvaratoms.cpp:160

Methodremove_child

src/colvardeps.cpp:472

Methodremove_file

Remove the given file (on Windows only, rename to filename.old)

src/colvarproxy.h:585

Methodrename_file

Rename the given file

src/colvarproxy.h:594

Methodreopen_replica_buffer_file

src/colvarbias_meta.cpp:1886

Functionreplica_comm_barrier

namd/src/colvarproxy_namd.C:1404

Methodreplica_comm_barrier

lammps/src/USER-COLVARS/colvarproxy_lammps.cpp:373

Functionreplica_comm_recv

namd/src/colvarproxy_namd.C:1409

Methodreplica_comm_recv

lammps/src/USER-COLVARS/colvarproxy_lammps.cpp:379

Functionreplica_comm_send

namd/src/colvarproxy_namd.C:1425

Methodreplica_comm_send

lammps/src/USER-COLVARS/colvarproxy_lammps.cpp:393

Methodreplica_enabled

lammps/src/USER-COLVARS/colvarproxy_lammps.cpp:355

Functionreplica_index

namd/src/colvarproxy_namd.C:1394

Methodreplica_index

lammps/src/USER-COLVARS/colvarproxy_lammps.cpp:361

Methodreplica_share

src/colvarbias_abf.cpp:502

Methodreplica_share

src/colvarbias_meta.cpp:1000

Functionrequest_deletion

vmd/src/colvarproxy_vmd.C:138

Functionrequest_total_force

namd/src/colvarproxy_namd.C:601

Methodrequest_total_force

gromacs/src/colvarproxy_gromacs.cpp:232

Methodrequest_total_force

src/colvarproxy.cpp:44

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