ESPResSo 3.2.0-159-gf5c8922-git: background

000: errorhandling.c: sigint_handler() : " {000 caught signal %d} ",sig
001: domain_decomposition.c: dd_create_cell_grid() : " {001 number of cells %d is smaller than minimum %d (interaction range too large or min_num_cells too large)} ",n_local_cells, min_num_cells
002: domain_decomposition.c: dd_create_cell_grid() : " {002 interaction range %g in direction %d is larger than the local box size %g} ",max_range, i, local_box_l[i]
003: domain_decomposition.c: dd_create_cell_grid() : " {003 no suitable cell grid found} "
004: domain_decomposition.c: dd_exchange_and_sort_particles() : " {004 some particles moved more than min_local_box_l, reduce the time step} "
005: domain_decomposition.c: dd_position_to_cell() : " {005 particle @ (%g, %g, %g) is outside of the allowed cell grid} ", pos[0], pos[1], pos[2]
005: domain_decomposition.c: dd_position_to_cell() : " {005 particle @ (%g, %g, %g) is outside of the allowed cell grid} ", pos[0], pos[1], pos[2]
006: elc.c: ELC_sanity_checks() : " {006 ELC requires periodicity 1 1 1} "
006: mdlc_correction.c: mdlc_sanity_checks() : " {006 mdlc requires periodicity 1 1 1} "
007: elc.c: ELC_init() : " {007 P3M real space cutoff too large for ELC w/ dielectric contrast} "
008: elc.c: ELC_init() : " {008 ELC auto-retuning failed, gap size too small} "
009: elc.c: ELC_set_params() : " {009 ELC tuning failed, ELC is not set up to work with the GPU P3M} "
009: elc.c: ELC_set_params() : " {009 ELC tuning failed, gap size too small} "
009: mdlc_correction.c: mdlc_set_params() : " {009 mdlc tuning failed, gap size too small} "
010: initialize.c: on_integration_start() : " {010 time_step not set} "
011: initialize.c: on_integration_start() : " {011 skin not set} "
012: initialize.c: on_integration_start() : " {012 thermostat not initialized} "
013: domain_decomposition.c: dd_on_geometry_change() : " {013 box_l in direction %d is too small} ", i
014: initialize.c: on_integration_start() : " {014 npt on, but piston mass not set} "
014: initialize.c: on_integration_start() : " {014 npt only works with P3M} "
015: integrate.c: propagate_press_box_pos_and_rescale_npt() : " {015 your choice of piston=%g, dt=%g, p_diff=%g just caused the volume to become negative, decrease dt} ",nptiso.piston,time_step,nptiso.p_diff
016: layered.c: layered_topology_init() : " {016 selected node grid is not suitable for layered cell structure (needs 1x1x%d grid)} ", n_nodes
017: layered.c: layered_topology_init() : " {017 layered: maximal interaction range %g larger than local box length %g} ", max_range, local_box_l[2]
018: layered.c: layered_topology_init() : " {018 layered: maximal interaction range %g larger than layer height %g} ", max_range, layer_h
019: layered.c: layered_exchange_and_sort_particles() : " {019 layered_exchange_and_sort_particles: particle moved more than one cell} "
022: mmm1d.c: MMM1D_sanity_checks() : " {022 MMM1D requires periodicity 0 0 1} "
023: mmm1d.c: MMM1D_sanity_checks() : " {023 MMM1D requires n-square cellsystem} "
024: mmm2d.c: add_mmm2d_coulomb_pair_force() : " {024 near formula called for too distant particle pair} "
025: mmm2d.c: MMM2D_sanity_checks() : " {025 MMM2D requires periodicity 1 1 0} "
026: mmm2d.c: MMM2D_sanity_checks() : " {026 MMM2D at present requires layered (or n-square) cellsystem} "
027: mmm2d.c: MMM2D_init() : " {027 MMM2D auto-retuning: IC requires layered cellsystem with > 3 layers} "
027: mmm2d.c: MMM2D_init() : " {027 MMM2D auto-retuning: %s} ", mmm2d_errors[err]
028: mmm2d.c: MMM2D_init() : " {028 MMM2D auto-retuning: %s} ", mmm2d_errors[err]
029: modes.c: map_to_2dgrid() : " {029 fft_modes_init: grid dimensions are <%d,%d,%d>, but one and only one must be = 0} ",mode_grid_3d[0],mode_grid_3d[1],mode_grid_3d[2]
030: modes.c: map_to_2dgrid() : " {030 fft_modes_init: grid dimensions are <%d,%d,%d>, but all must be >= 0} ",mode_grid_3d[0],mode_grid_3d[1],mode_grid_3d[2]
031: modes.c: map_to_2dgrid() : " {031 fft_modes_init: grid dimensions are <%d,%d,%d>, but one and only one must be = 0} ",mode_grid_3d[0],mode_grid_3d[1],mode_grid_3d[2]
032: modes.c: map_to_2dgrid() : " {032 fft_modes_init: grid dimensions are <%d,%d,%d>, but two must be equal and the other 0} ",mode_grid_3d[xdir],mode_grid_3d[ydir],mode_grid_3d[zdir]
033: modes.c: map_to_2dgrid() : " {033 fft_modes_init: grid dimensions are <%d,%d,%d>. All non zero values must be integer multiples of 2} ",mode_grid_3d[xdir],mode_grid_3d[ydir],mode_grid_3d[zdir]
034: modes.c: bilayer_density_profile() : " {034 calculation of height grid failed } "
034: modes.c: get_lipid_orients() : " {034 calculation of height grid failed } "
034: modes.c: modes2d() : " {034 calculation of height grid failed } "
035: modes.c: orient_order() : " {035 could not sort partCfg, particles have to start at 0 and have consecutive identities} "
036: modes.c: get_lipid_orients() : " {036 cannot calculate lipid orientations with uninitialized grid} "
037: nemd.c: nemd_init() : " {037 NEMD is a single node feature} "
038: nemd.c: nemd_change_momentum() : " {038 nemd_exchange_momentum: Not enough particles in slab!} "
039: p3m.c: p3m_calc_kspace_forces() : " {039 P3M_init: k-space cutoff %g is larger than half of box dimension %g} ",p3m.params.cao_cut[i],box_l[i]
039: p3m-dipolar.c: dp3m_sanity_checks_boxl() : " {039 dipolar P3M_init: k-space cutoff %g is larger than half of box dimension %g} ",dp3m.params.cao_cut[i],box_l[i]
040: p3m.c: p3m_calc_kspace_forces() : " {040 P3M_init: k-space cutoff %g is larger than local box dimension %g} ",p3m.params.cao_cut[i],local_box_l[i]
040: p3m-dipolar.c: dp3m_sanity_checks_boxl() : " {040 dipolar P3M_init: k-space cutoff %g is larger than local box dimension %g} ",dp3m.params.cao_cut[i],local_box_l[i]
041: p3m.c: p3m_calc_kspace_forces() : " {041 P3M requires periodicity 1 1 1} "
041: p3m-dipolar.c: dp3m_sanity_checks() : " {041 dipolar P3M requires periodicity 1 1 1} "
042: p3m.c: p3m_calc_kspace_forces() : " {042 P3M at present requires the domain decomposition cell system} "
042: p3m-dipolar.c: dp3m_sanity_checks() : " {042 dipolar P3M at present requires the domain decomposition cell system} "
043: p3m-dipolar.c: dp3m_sanity_checks() : " {043 dipolar P3M requires a cubic box} "
044: p3m-dipolar.c: dp3m_sanity_checks() : " {044 dipolar P3M requires a cubic mesh} "
045: p3m.c: p3m_calc_kspace_forces() : " {045 P3M_init: mesh size is not yet set} "
045: p3m-dipolar.c: dp3m_sanity_checks() : " {045 dipolar P3M_init: mesh size is not yet set} "
046: p3m.c: p3m_calc_kspace_forces() : " {046 P3M_init: cao is not yet set} "
046: p3m-dipolar.c: dp3m_sanity_checks() : " {046 dipolar P3M_init: cao is not yet set} "
046: p3m-dipolar.c: dp3m_sanity_checks() : " {046 dipolar P3M_init: node grid must be sorted, largest first} "
047: p3m.c: p3m_calc_kspace_forces() : " {047 P3M_init: skin is not yet set} "
047: p3m-dipolar.c: dp3m_sanity_checks() : " {047 dipolar P3M_init: skin is not yet set} "
048: p3m.c: p3m_calc_kspace_forces() : " {048a P3M_init: node grid must be sorted, largest first} "
048: p3m.c: p3m_calc_kspace_forces() : " {048 P3M_init: alpha must be >0} "
048: particle_data.c: change_particle_bond() : " {048 invalid/unknown bonded interaction type %d}", bond[0]
049: p3m.c: p3m_calc_kspace_forces() : " {049 P3M_init: Nonmetallic epsilon requires cubic box} "
049: polymer.c: mindist3() : " {049 failed to find desired particle %d} ",part_id
051: rattle.c: compute_pos_corr_vec() : " {051 rigid bond broken between particles %d and %d (particles not stored on the same node)} ",p1->p.identity, p1->bl.e[k-1]
053: rattle.c: correct_pos_shake() : " {053 RATTLE failed to converge after %d iterations} ", cnt
054: rattle.c: compute_vel_corr_vec() : " {054 rigid bond broken between particles %d and %d (particles not stored on the same node)} ",p1->p.identity, p1->bl.e[k-1]
056: rattle.c: print_bond_len() : " {056 rigid bond broken between particles %d and %d (particles not stored on the same node)} ", p[i].p.identity, p[i].bl.e[k-1]
057: statistics.c: analyze_activate() : " {057 failed upon replacing particle %d in Espresso} ", i)
059: statistics_molecule.c: analyze_fold_molecules() : " {059 analyze_fold_molecules: could not sort particle config, particle ids not consecutive?} "
060: statistics_molecule.c: analyze_fold_molecules() : " {060 analyze_fold_molecules: chain center of mass is out of range (coord %d: %.14f not in box_l %.14f)} ",i,cm_tmp,box_l[i]
061: constraint.c: add_constraints_forces() : " {061 wall constraint %d violated by particle %d} ", n, p1->p.identity
062: constraint.c: add_constraints_forces() : " {062 sphere constraint %d violated by particle %d} ", n, p1->p.identity
063: constraint.c: add_constraints_forces() : " {063 cylinder constraint %d violated by particle %d} ", n, p1->p.identity
063: constraint.c: add_constraints_forces() : " {063 plane constraint %d violated by particle %d} ", n, p1->p.identity
063: constraint.c: add_constraints_forces() : " {063 pore constraint %d violated by particle %d} ", n, p1->p.identity
063: constraint.c: add_constraints_forces() : " {063 rhomboid constraint %d violated by particle %d} ", n, p1->p.identity
064: constraint.c: add_constraints_forces() : " {064 maze constraint %d violated by particle %d} ", n, p1->p.identity
065: constraint.c: add_constraints_energy() : " {065 wall constraint %d violated by particle %d} ", n, p1->p.identity
066: constraint.c: add_constraints_energy() : " {066 sphere constraint %d violated by particle %d} ", n, p1->p.identity
067: constraint.c: add_constraints_energy() : " {067 cylinder constraint %d violated by particle %d} ", n, p1->p.identity
067: constraint.c: add_constraints_energy() : " {067 cylinder constraint %d violated by particle %d} ", n, p1->p.identity
067: constraint.c: add_constraints_energy() : " {067 pore constraint %d violated by particle %d} ", n, p1->p.identity
068: constraint.c: add_constraints_energy() : " {068 maze constraint %d violated by particle %d} ", n, p1->p.identity
069: energy.h: add_bonded_energy() : " {069 bond broken between particles %d and %d (particles not stored on the same node)} ",p1->p.identity, p1->bl.e[i-1]
070: energy.h: add_bonded_energy() : " {070 bond broken between particles %d, %d and %d (particles not stored on the same node)} ",p1->p.identity, p1->bl.e[i-2], p1->bl.e[i-1]
071: energy.h: add_bonded_energy() : " {071 bond broken between particles %d, %d, %d and %d (particles not stored on the same node)} ",p1->p.identity, p1->bl.e[i-3], p1->bl.e[i-2], p1->bl.e[i-1]
072: energy.h: add_bonded_energy() : " {072 add_bonded_energy: overlapped bond type of atom %d unknown\n", p1->p.identity
072: energy.h: add_bonded_energy() : " {072 add_bonded_energy: tabulated bond type of atom %d unknown\n", p1->p.identity
073: energy.h: add_bonded_energy() : " {073 add_bonded_energy: bond type of atom %d unknown\n", p1->p.identity
077: fene.h: fene_pair_energy() : " {077 FENE bond broken between particles %d and %d} ", p1->p.identity, p2->p.identity)
078: forces.h: add_bonded_force() : " {078 bond broken between particles %d and %d (particles not stored on the same node)} ",p1->p.identity, p1->bl.e[i-1]
079: forces.h: add_bonded_force() : " {079 bond broken between particles %d, %d and %d (particles not stored on the same node)} ",p1->p.identity, p1->bl.e[i-2], p1->bl.e[i-1]
080: forces.h: add_bonded_force() : " {080 bond broken between particles %d, %d, %d and %d (particles not stored on the same node)} ",p1->p.identity, p1->bl.e[i-3], p1->bl.e[i-2], p1->bl.e[i-1]
081: forces.h: add_bonded_force() : " {081 add_bonded_force: overlapped bond type of atom %d unknown\n", p1->p.identity
081: forces.h: add_bonded_force() : " {081 add_bonded_force: tabulated bond type of atom %d unknown\n", p1->p.identity
081: pressure.h: calc_bonded_force() : " {081 calc_bonded_force: overlapped bond type of atom %d unknown\n", p1->p.identity
081: pressure.h: calc_bonded_force() : " {081 calc_bonded_force: tabulated bond type of atom %d unknown\n", p1->p.identity
081: pressure.h: calc_bonded_force() : " {081 calc_bonded_force: tabulated bond type of atom %d unknown\n", p1->p.identity
082: forces.h: add_bonded_force() : " {082 add_bonded_force: bond type of atom %d unknown\n", p1->p.identity
083: energy.h: add_bonded_energy() : " {083 bond broken between particles %d and %d} ",p1->p.identity, p2->p.identity)
083: forces.h: add_bonded_force() : " {083 bond broken between particles %d and %d} ",p1->p.identity, p2->p.identity)
084: energy.h: add_bonded_energy() : " {084 bond broken between particles %d, %d and %d} ",p1->p.identity, p2->p.identity, p3->p.identity)
084: forces.h: add_bonded_force() : " {084 bond broken between particles %d, %d and %d} ",p1->p.identity, p2->p.identity, p3->p.identity)
085: energy.h: add_bonded_energy() : " {085 bond broken between particles %d, %d, %d and %d} ",p1->p.identity, p2->p.identity, p3->p.identity, p4->p.identity)
085: forces.h: add_bonded_force() : " {085 bond broken between particles %d, %d, %d and %d} ",p1->p.identity, p2->p.identity, p3->p.identity, p4->p.identity)
086: grid.h: fold_coordinate() : " {086 particle coordinate out of range, pos = %g, image box = %d} ", pos[dir], image_box[dir]
088: pressure.h: calc_bonded_force() : " {088 bond broken between particles %d and %d (particles not stored on the same node)} ",p1->p.identity, p1->bl.e[i-1]
092: modes.c: bilayer_density_profile() : " {092 attempt to perform mode analysis with uninitialized grid} "
092: modes.c: calc_fluctuations() : " {092 attempt to calculate height grid / thickness with uninitialized grid} "
092: modes.c: modes2d() : " {092 attempt to perform mode analysis with uninitialized grid} "
093: modes.c: calc_fluctuations() : " {093 you must allocate memory for the height grid / thickness first} "
093: molforces.c: calc_mol_info() : " { 093 can't calculate molforces: must execute analyse set topo_part_sync first }"
093: molforces.c: calc_trap_force() : " { 093 can't calculate moltrap: must execute analyse set topo_part_sync first }"
094: modes.c: bilayer_density_profile_sphere() : " {094 could not sort partCfg} "
094: modes.c: calc_fluctuations() : " {094 could not sort partCfg} "
094: molforces.c: calc_local_mol_info() : " { 094 can't calculate molforces no such molecule as %d }",mol
094: molforces.c: get_local_trapped_mols() : " { 094 can't calculate molforces no such molecule as %d }",mol
095: modes.c: bilayer_density_profile() : " {095 density_profile not initialized in calc_bilayer_density_profile } "
095: modes.c: bilayer_density_profile_sphere() : " {095 bin is outside range } "
095: modes.c: bilayer_density_profile_sphere() : " {095 density_profile not initialized in calc_bilayer_density_profile } "
095: modes.c: calc_fluctuations() : " {095 hole in membrane} "
097: lattice.c: init_lattice() : " {097 Lattice spacing agrid=%f is incompatible with local_box_l[%d]=%f (box_l[%d]=%f node_grid[%d]=%d) %f} ",agrid,dir,local_box_l[dir],dir,box_l[dir],dir,node_grid[dir],local_box_l[dir]-lattice->grid[dir]*agrid
097: lb.c: lb_lbfluid_set_agrid() : " {097 Lattice spacing p_agrid=%f is incompatible with box_l[%i]=%f, factor=%d err= %g} ",p_agrid,dir,box_l[dir],tmp[dir],fabs(box_l[dir]-tmp[dir]*p_agrid)
097: modes.c: calc_fluctuations() : " {097 Wrong argument in calc_fluctuations function} "
098: initialize.c: on_integration_start() : " {098 Lattice Boltzmann agrid not set} "
098: initialize.c: on_integration_start() : " {098 Lattice Boltzmann agrid not set} "
099: initialize.c: on_integration_start() : " {099 Lattice Boltzmann time step not set} "
099: initialize.c: on_integration_start() : " {099 Lattice Boltzmann time step not set} "
100: initialize.c: on_integration_start() : " {100 Lattice Boltzmann fluid density not set} "
100: initialize.c: on_integration_start() : " {100 Lattice Boltzmann fluid density not set} "
101: initialize.c: on_integration_start() : " {101 Lattice Boltzmann fluid viscosity not set} "
101: initialize.c: on_integration_start() : " {101 Lattice Boltzmann fluid viscosity not set} "
102: lb.c: compare_buffers() : " {102 Halo buffers are not identical} "
103: lb.c: lb_sanity_checks() : " {103 LB requires domain-decomposition cellsystem} "
104: initialize.c: on_integration_start() : " {104 LB requires either no Verlet lists or that the skin of the verlet list to be less than half of lattice-Boltzmann grid spacing.} "
104: lb.c: lb_sanity_checks() : " {104 LB requires either no Verlet lists or that the skin of the verlet list to be less than half of lattice-Boltzmann grid spacing.} "
105: initialize.c: on_integration_start() : " {105 The CATALYTIC_REACTIONS feature requires verlet lists and domain decomposition} "
106: initialize.c: on_integration_start() : " {106 Reaction range of %f exceeds maximum cutoff of %f} ", reaction.range, max_cut
106: reaction.c: local_setup_reaction() : " {106 interaction parameters for reaction could not be set} "
109: lb-boundaries.c: lb_init_boundaries() : " {109 lbboundary type %d not implemented in lb_init_boundaries()\n", lb_boundaries[n].type
109: lb-boundaries.c: lb_init_boundaries() : " {109 lbboundary type %d not implemented in lb_init_boundaries()\n", lb_boundaries[n].type
110: p3m-dipolar.c: dp3m_sanity_checks() : " {110 dipolar P3M does not run in parallel} "
122: lb.c: lb_sanity_checks() : " {122 LB must not be used with other thermostats} "
301: maggs.c: maggs_sanity_checks() : " {301 MEMD: bjerrum length is zero.} "
302: maggs.c: maggs_sanity_checks() : " {302 MEMD needs cubic box.} "
303: maggs.c: maggs_sanity_checks() : " {303 MEMD requires periodicity 1 1 1} "
304: maggs.c: maggs_sanity_checks() : " {304 MEMD: meshsize is incompatible with number of processes.} "
305: maggs.c: maggs_sanity_checks() : " {305 MEMD requires domain-decomposition cellsystem.} "
306: maggs.c: maggs_sanity_checks() : " {306 MEMD requires no Verlet Lists.} "
307: maggs.c: maggs_sanity_checks() : " {307 MEMD: Speed of light is set too high. Increase f_mass.} "
308: maggs.c: maggs_sanity_checks() : " {308 MEMD: Skin should be smaller than MEMD mesh size.} "
309: maggs.c: maggs_sanity_checks() : " {309 MEMD does not work with fixed particles.} "
30?: maggs.c: maggs_sanity_checks() : " {30? MEMD: No charges in the system.} "
990: iccp3m.c: iccp3m_iteration() : " {error occured 990 : too big charge assignment in iccp3m! q >1e6 , \assigned charge= %f } \n",part[i].p.q
999: forces.h: add_bonded_force() : " {999 force on particle was NAN.} "
999: forces.h: add_bonded_force() : " {999 force on particle was NAN.} "
ana: pressure.c: getintersection() : " {analyze stress_profile: Analyzed box (%g) with skin+max_cut(%g) is larger than simulation box (%g).\n",range[i],skin+max_cut,box_l[i]
ana: pressure.c: getintersection() : " {analyze stress_profile: getintersection: intersection is a line, not a point - value is %g same as %g and %g\n",value,0.0,p2r[given]
ana: pressure.c: getintersection() : " {analyze stress_profile: getintersection: intersection is not between the two given particles - %e is not between %e and %e and box size is %e, given is %d\n ",value,0.0,p2r[given],box_size[given],given
ana: pressure.c: getintersection() : " {analyze stress_profile: parameter skin not set}"
col: collision.c: handle_collisions() : " {collision between particles %d and %d} ",id1, id2
dip: p3m-dipolar.c: () : " {dipolar P3M: tuning when dlc needs to be fixed} "
d:: pressure.c: getintersection() : " {%d: analyze stress_profile: bug in distribute tensor code - calclength is %e and length is %e}",this_node,calclength,length
ICC: iccp3m.c: () : " {ICCP3M conflicts with ELC dielectric constrast"
ICC: iccp3m.c: () : " {ICCP3M implemented only for MMM1D,MMM2D,ELC or P3M "
ICC: iccp3m.c: if() : " {ICCP3M cannot be used with pressure coupling} "
: iccp3m.c: iccp3m_iteration() : " {</li> <li>: iccp3m.c: iccp3m_iteration() : " {
: iccp3m.c: () : " {</li> <li>: iccp3m.c: () : " {
: iccp3m.c: () : " {</li> <li>: iccp3m.c: () : " {
: initialize.c: on_integration_start() : " {</li> <li>: lb.h: lb_calc_local_fields() : " {Error in lb_calc_local_fields in s d: CPU LB not switched on. } ", __FILE__, __LINE__</li> <li>: lb.h: lb_calc_local_fields() : " {Error in lb_calc_local_pi in s d: CPU LB not switched on. } ", __FILE__, __LINE__</li> <li>: lb.h: lb_calc_local_j() : " {Error in lb_calc_local_j in s d: CPU LB not switched on. } ", __FILE__, __LINE__</li> <li>: lb.h: lb_calc_local_pi() : " {Error in lb_calc_local_pi in s d: CPU LB not switched on. } ", __FILE__, __LINE__</li> <li>: lb.h: lb_calc_local_rho() : " {Error in lb_calc_local_rho in s d: CPU LB not switched on. } ", __FILE__, __LINE__</li> <li>: lb.h: lb_local_fields_get_boundary_flag() : " {Error in lb_local_fields_get_boundary_flag in s d: CPU LB not switched on. } ", __FILE__, __LINE__</li> <li>: metadynamics.c: meta_init() : " {
: metadynamics.c: meta_perform() : " {</li> <li>: metadynamics.c: meta_perform() : " {
MMM: mmm2d.c: add_mmm2d_coulomb_pair_force() : " {MMM2D: distance was negative, coordinates probably out of range } "
: pressure.h: calc_bonded_force() : " {</li> <li>: pressure.h: calc_bonded_force() : " {
: virtual_sites_com.c: calc_mol_pos() : " {</li> <li>: virtual_sites_com.c: calc_mol_pos() : " {
: virtual_sites_com.c: calc_mol_vel() : " {</li> <li>: virtual_sites_com.c: calc_mol_vel() : " {
: virtual_sites_com.c: get_mol_com_particle() : " {calling_p->p.identity</li> <li>: virtual_sites_com.c: get_mol_com_particle() : " {
: virtual_sites_com.c: get_mol_com_particle() : " {</li> <li>: virtual_sites_com.c: get_mol_dist() : " {
: virtual_sites_com.c: get_mol_dist() : " {</li> <li>: virtual_sites_com.c: put_mol_force_on_parts() : " {
: virtual_sites_com.c: put_mol_force_on_parts() : " {</li> <li>: virtual_sites_com.c: put_mol_force_on_parts() : " {
: virtual_sites_relative.c: update_mol_pos_particle() : " {</li> <li>: virtual_sites_relative.c: update_mol_vel_particle() : " {
: virtual_sites_relative.c: vs_relate_to() : " {</li> <li>: virtual_sites_relative.c: vs_relate_to() : " {
: virtual_sites_relative.c: vs_relate_to() : " {