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Functions1,368 in github.com/Colvars/colvars

⨍ Functions 1,368◇ Types & classes 209

FunctiongetCurrentLambda2

namd/src/SimParameters.C:7100

FunctiongetElecLambda

namd/src/SimParameters.C:7180

MethodgetPolynomialFactorOfCVGradient

src/colvarcomp_gpath.cpp:440

FunctiongetRepLambda

namd/src/SimParameters.C:7212

FunctiongetVdwLambda

* Modifications for WCA decomposition of van der Waal interactions. * * WCA requires that repulsive and attractive components of the vdW * forces b

namd/src/SimParameters.C:7194

Methodget_atom_group_id

Get the numeric ID of the given atom group (for the MD program)

src/colvarproxy.h:364

Methodget_atom_group_velocity

Read the current velocity of the given atom group

src/colvarproxy.h:400

Methodget_atom_lists

src/colvarcomp.cpp:399

Methodget_cmd_arg

src/colvarscript.h:270

Methodget_cmd_prefix

src/colvarscript.cpp:120

Methodget_colvars_index_bound

\brief Get the bin indices corresponding to the provided values of the colvars and assign first or last bin if out of boundaries

src/colvargrid.h:609

Functionget_colvarscript_result

src/colvarscript.cpp:472

Methodget_command_cmdline_syntax

src/colvarscript.cpp:160

Methodget_command_help

src/colvarscript.cpp:136

Methodget_cvc_param

src/colvar.cpp:1998

Methodget_cvc_param_grad

src/colvar.cpp:2020

Methodget_cvc_param_ptr

src/colvar.cpp:2009

Methodget_error

src/colvarmodule.h:217

Methodget_error_bit

src/colvarmodule.cpp:1736

Functionget_frame

vmd/src/colvarproxy_vmd.C:363

src/colvargrid.cpp:305

Methodget_key_string_multi_value

src/colvarparse.cpp:95

Methodget_key_string_value

src/colvarparse.cpp:70

Methodget_keyval_feature

src/colvardeps.cpp:107

Functionget_molid

vmd/src/colvarproxy_vmd.C:356

Methodget_param_grad_names

src/colvarparams.cpp:62

Methodget_param_grad_ptr

src/colvarparams.cpp:83

Methodget_param_names

src/colvarparams.cpp:51

Methodget_state_params

src/colvarbias_restraint.cpp:67

Methodget_state_params

src/colvarbias_alb.cpp:286

Methodget_state_params

src/colvarbias_meta.cpp:1699

Methodget_state_params

src/colvarbias.cpp:421

Methodget_value

src/colvar_UIestimator.h:167

Methodget_volmap_id

Get the numeric ID of the given volumetric map (for the MD program)

src/colvarproxy_volmaps.h:40

Functiongetfromparseopts

namd/src/SimParameters.C:99

Methodgradient_finite_diff

\brief Return the gradient of discrete count from finite differences on the *same* grid for dimension n

src/colvargrid.h:1304

Methodgroupcoordnum

src/colvarcomp_coordnums.cpp:539

src/colvarcomp.h:1630

src/colvarcomp_gpath.cpp:137

src/colvarcomp.h:1644

src/colvarcomp_gpath.cpp:637

src/colvarcomp_distances.cpp:800

src/colvarcomp.h:1637

src/colvarcomp_gpath.cpp:278

src/colvarcomp.h:1651

src/colvarcomp_gpath.cpp:774

src/colvarcomp_coordnums.cpp:301

src/colvarbias_meta.cpp:1935

Methodhills_traj_file_name

src/colvarbias_meta.cpp:1688

Methodincrease_depth

src/colvarmodule.cpp:1690

Methodincrease_value

src/colvar_UIestimator.h:175

src/colvarcomp_distances.cpp:869

Methodinertia_z

src/colvarcomp_distances.cpp:905

src/colvarbias_histogram.cpp:24

src/colvarbias_restraint.cpp:24

src/colvarcomp.cpp:46

src/colvarbias_alb.cpp:37

src/colvarbias_abf.cpp:39

src/colvarcomp_volmaps.cpp:35

src/colvarbias_meta.cpp:65

src/colvarcomp_rotations.cpp:28

src/colvarbias.cpp:41

src/colvarparse.cpp:41

src/colvaratoms.cpp:206

lammps/src/USER-COLVARS/colvarproxy_lammps.cpp:123

Methodinit_as_angle

src/colvarcomp.cpp:316

Methodinit_as_distance

src/colvarcomp.cpp:306

Functioninit_atom

namd/src/colvarproxy_namd.C:671

Methodinit_atom

lammps/src/USER-COLVARS/colvarproxy_lammps.cpp:425

Functioninit_atom_group

namd/src/colvarproxy_namd.C:1124

Methodinit_command

src/colvarscript.cpp:90

Methodinit_commands

src/colvarscript.cpp:53

Methodinit_components

src/colvar.cpp:810

Methodinit_components_type

src/colvar.cpp:732

Methodinit_custom_function

src/colvar.cpp:312

Methodinit_dependencies

src/colvarcomp.cpp:187

Methodinit_dependencies

src/colvar.cpp:1030

Methodinit_dependencies

src/colvarbias.cpp:128

Methodinit_dependencies

src/colvaratoms.cpp:234

Methodinit_ebmeta_params

src/colvarbias_meta.cpp:262

Methodinit_extended_Lagrangian

src/colvar.cpp:623

Methodinit_feature

src/colvardeps.cpp:383

Methodinit_grid_parameters

src/colvar.cpp:477

Methodinit_grids

src/colvarbias.cpp:724

Methodinit_output_flags

src/colvar.cpp:693

Methodinit_replicas_params

src/colvarbias_meta.cpp:180

Methodinit_scalar_boundaries

src/colvarcomp.cpp:323

Methodinit_string_cv_map

src/colvarcomp_gpath.cpp:912

Functioninit_tcl_pointers

vmd/src/colvarproxy_vmd.C:390

Methodinit_tcl_pointers

src/colvarproxy_tcl.cpp:35

Methodinit_total_force_params

src/colvarcomp.cpp:104

Methodinit_well_tempered_params

src/colvarbias_meta.cpp:246

Functioninitcheck

namd/src/ScriptTcl.C:78

Methodinitialize

src/colvar_geometricpath.h:91

Methodinitialize

src/colvar_arithmeticpath.h:47

Methodinner_opt

src/colvarvalue.cpp:802

Methodinteger_power

Override the STL pow() with a product for n integer

src/colvarmodule.h:104

Methodintegrate_potential

src/colvargrid.cpp:192

Methodinterp_on_gradient_grid

Return the data array interpolated on the corresponding gradient grid. Valid for free energy surfaces. By default, acts on self.data[

colvartools/colvars_grid.py:70

Methodinterpolate

Return the midpoint between x1 and x2, optionally weighted by lambda (which must be between 0.0 and 1.0)

src/colvarvalue.cpp:609

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