Loading doc/src/Commands_pair.txt +3 −3 Changes for doc/src/Commands_pair.txt: 3 added lines, 3 removed lines. Original line number Diff line number Diff line Loading @@ -68,13 +68,13 @@ OPT. "coul/diel (o)"_pair_coul_diel.html, "coul/dsf (gko)"_pair_coul.html, "coul/long (gko)"_pair_coul.html, "coul/long/cs"_pair_coul.html, "coul/long/cs (g)"_pair_cs.html, "coul/long/soft (o)"_pair_lj_soft.html, "coul/msm (o)"_pair_coul.html, "coul/shield"_pair_coul_shield.html, "coul/streitz"_pair_coul.html, "coul/wolf (ko)"_pair_coul.html, "coul/wolf/cs"_pair_coul.html, "coul/wolf/cs"_pair_cs.html, "dpd (gio)"_pair_dpd.html, "dpd/fdt"_pair_dpd_fdt.html, "dpd/fdt/energy (k)"_pair_dpd_fdt.html, Loading Loading @@ -127,7 +127,7 @@ OPT. "lj/cut/coul/debye (gko)"_pair_lj.html, "lj/cut/coul/dsf (gko)"_pair_lj.html, "lj/cut/coul/long (gikot)"_pair_lj.html, "lj/cut/coul/long/cs"_pair_lj.html, "lj/cut/coul/long/cs"_pair_cs.html, "lj/cut/coul/long/soft (o)"_pair_lj_soft.html, "lj/cut/coul/msm (go)"_pair_lj.html, "lj/cut/coul/wolf (o)"_pair_lj.html, Loading doc/src/angle_style.txt +9 −0 Changes for doc/src/angle_style.txt: 9 added lines, 0 removed lines. Original line number Diff line number Diff line Loading @@ -68,11 +68,20 @@ doc page. "charmm"_angle_charmm.html - CHARMM angle "class2"_angle_class2.html - COMPASS (class 2) angle "class2/p6"_angle_class2.html - "cosine"_angle_cosine.html - cosine angle potential "cosine/buck6d"_angle_cosine_buck6d.html - "cosine/delta"_angle_cosine_delta.html - difference of cosines angle potential "cosine/periodic"_angle_cosine_periodic.html - DREIDING angle "cosine/shift"_angle_cosine_shift.html - "cosine/shift/exp"_angle_cosine_shift_exp.html - "cosine/squared"_angle_cosine_squared.html - cosine squared angle potential "dipole"_angle_dipole.html - "fourier"_angle_fourier.html - "fourier/simple"_angle_fourier_simple.html - "harmonic"_angle_harmonic.html - harmonic angle "quartic"_angle_quartic.html - "sdk"_angle_sdk.html - "table"_angle_table.html - tabulated by angle :ul :line Loading doc/src/bond_style.txt +5 −0 Changes for doc/src/bond_style.txt: 5 added lines, 0 removed lines. Original line number Diff line number Diff line Loading @@ -76,9 +76,14 @@ bond styles is on the "Commands bond"_Commands_bond.html doc page. "class2"_bond_class2.html - COMPASS (class 2) bond "fene"_bond_fene.html - FENE (finite-extensible non-linear elastic) bond "fene/expand"_bond_fene_expand.html - FENE bonds with variable size particles "gromos"_bond_gromos.html - "harmonic"_bond_harmonic.html - harmonic bond "harmonic/shift"_bond_harmonic_shift.html - "harmonic/shift/cut"_bond_harmonic_shift_cut.html - "morse"_bond_morse.html - Morse bond "nonlinear"_bond_nonlinear.html - nonlinear bond "oxdna/fene"_bond_oxdna.html - "oxdna2/fene"_bond_oxdna.html - "quartic"_bond_quartic.html - breakable quartic bond "table"_bond_table.html - tabulated by bond length :ul Loading doc/src/compute.txt +60 −2 Changes for doc/src/compute.txt: 60 added lines, 2 removed lines. Original line number Diff line number Diff line Loading @@ -175,9 +175,13 @@ The individual style names on the "Commands compute"_Commands_compute.html doc page are followed by one or more of (g,i,k,o,t) to indicate which accelerated styles exist. "ackland/atom"_compute_ackland_atom.html - "aggregate/atom"_compute_cluster_atom.html - aggregate ID for each atom "angle"_compute_angle.html - "angle/local"_compute_angle_local.html - "angle/local"_compute_bond_local.html - theta and energy of each angle "angmom/chunk"_compute_angmom_chunk.html - angular momentum for each chunk "basal/atom"_compute_basal_atom.html - "body/local"_compute_body_local.html - attributes of body sub-particles "bond"_compute_bond.html - values computed by a bond style "bond/local"_compute_bond_local.html - distance and energy of each bond Loading @@ -186,30 +190,48 @@ compute"_Commands_compute.html doc page are followed by one or more of "chunk/spread/atom"_compute_chunk_spread_atom.html - spreads chunk values to each atom in chunk "cluster/atom"_compute_cluster_atom.html - cluster ID for each atom "cna/atom"_compute_cna_atom.html - common neighbor analysis (CNA) for each atom "cnp/atom"_compute_cnp_atom.html - "com"_compute_com.html - center-of-mass of group of atoms "com/chunk"_compute_com_chunk.html - center-of-mass for each chunk "contact/atom"_compute_contact_atom.html - contact count for each spherical particle "coord/atom"_compute_coord_atom.html - coordination number for each atom "damage/atom"_compute_damage_atom.html - Peridynamic damage for each atom "dihedral"_compute_dihedral.html - "dihedral/local"_compute_dihedral_local.html - angle of each dihedral "dilatation/atom"_compute_dilatation_atom.html - Peridynamic dilatation for each atom "dipole/chunk"_compute_dipole_chunk.html - "displace/atom"_compute_displace_atom.html - displacement of each atom "dpd"_compute_dpd.html - "dpd/atom"_compute_dpd_atom.html - "edpd/temp/atom"_compute_edpd_temp_atom.html - "entropy/atom"_compute_entropy_atom.html - "erotate/asphere"_compute_erotate_asphere.html - rotational energy of aspherical particles "erotate/rigid"_compute_erotate_rigid.html - rotational energy of rigid bodies "erotate/sphere"_compute_erotate_sphere.html - rotational energy of spherical particles "erotate/sphere/atom"_compute_erotate_sphere.html - rotational energy for each spherical particle "erotate/sphere/atom"_compute_erotate_sphere_atom.html - "event/displace"_compute_event_displace.html - detect event on atom displacement "fep"_compute_fep.html - "force/tally"_compute_tally.html - "fragment/atom"_compute_cluster_atom.html - fragment ID for each atom "global/atom"_compute_global_atom.html - "group/group"_compute_group_group.html - energy/force between two groups of atoms "gyration"_compute_gyration.html - radius of gyration of group of atoms "gyration/chunk"_compute_gyration_chunk.html - radius of gyration for each chunk "heat/flux"_compute_heat_flux.html - heat flux through a group of atoms "heat/flux/tally"_compute_tally.html - "hexorder/atom"_compute_hexorder_atom.html - bond orientational order parameter q6 "improper"_compute_improper.html - "improper/local"_compute_improper_local.html - angle of each improper "inertia/chunk"_compute_inertia_chunk.html - inertia tensor for each chunk "ke"_compute_ke.html - translational kinetic energy "ke/atom"_compute_ke_atom.html - kinetic energy for each atom "ke/atom/eff"_compute_ke_atom_eff.html - "ke/eff"_compute_ke_eff.html - "ke/rigid"_compute_ke_rigid.html - translational kinetic energy of rigid bodies "meso/e/atom"_compute_meso_e_atom.html - "meso/rho/atom"_compute_meso_rho_atom.html - "meso/t/atom"_compute_meso_t_atom.html - "msd"_compute_msd.html - mean-squared displacement of group of atoms "msd/chunk"_compute_msd_chunk.html - mean-squared displacement for each chunk "msd/nongauss"_compute_msd_nongauss.html - MSD and non-Gaussian parameter of group of atoms Loading @@ -219,24 +241,53 @@ compute"_Commands_compute.html doc page are followed by one or more of "pair/local"_compute_pair_local.html - distance/energy/force of each pairwise interaction "pe"_compute_pe.html - potential energy "pe/atom"_compute_pe_atom.html - potential energy for each atom "pe/mol/tally"_compute_tally.html - "pe/tally"_compute_tally.html - "plasticity/atom"_compute_plasticity_atom.html - Peridynamic plasticity for each atom "pressure"_compute_pressure.html - total pressure and pressure tensor "pressure/cylinder"_compute_pressure_cylinder.html - "pressure/uef"_compute_pressure_uef.html - "property/atom"_compute_property_atom.html - convert atom attributes to per-atom vectors/arrays "property/local"_compute_property_local.html - convert local attributes to localvectors/arrays "property/chunk"_compute_property_chunk.html - extract various per-chunk attributes "property/local"_compute_property_local.html - convert local attributes to localvectors/arrays "ptm/atom"_compute_ptm_atom.html - "rdf"_compute_rdf.html - radial distribution function g(r) histogram of group of atoms "reduce"_compute_reduce.html - combine per-atom quantities into a single global value "reduce/chunk"_compute_reduce_chunk.html - reduce per-atom quantities within each chunk "reduce/region"_compute_reduce.html - same as compute reduce, within a region "rigid/local"_compute_rigid_local.html - extract rigid body attributes "saed"_compute_saed.html - "slice"_compute_slice.html - extract values from global vector or array "smd/contact/radius"_compute_smd_contact_radius.html - "smd/damage"_compute_smd_damage.html - "smd/hourglass/error"_compute_smd_hourglass_error.html - "smd/internal/energy"_compute_smd_internal_energy.html - "smd/plastic/strain"_compute_smd_plastic_strain.html - "smd/plastic/strain/rate"_compute_smd_plastic_strain_rate.html - "smd/rho"_compute_smd_rho.html - "smd/tlsph/defgrad"_compute_smd_tlsph_defgrad.html - "smd/tlsph/dt"_compute_smd_tlsph_dt.html - "smd/tlsph/num/neighs"_compute_smd_tlsph_num_neighs.html - "smd/tlsph/shape"_compute_smd_tlsph_shape.html - "smd/tlsph/strain"_compute_smd_tlsph_strain.html - "smd/tlsph/strain/rate"_compute_smd_tlsph_strain_rate.html - "smd/tlsph/stress"_compute_smd_tlsph_stress.html - "smd/triangle/vertices"_compute_smd_triangle_vertices.html - "smd/triangle/vertices"_compute_smd_triangle_vertices.html - "smd/ulsph/num/neighs"_compute_smd_ulsph_num_neighs.html - "smd/ulsph/strain"_compute_smd_ulsph_strain.html - "smd/ulsph/strain/rate"_compute_smd_ulsph_strain_rate.html - "smd/ulsph/stress"_compute_smd_ulsph_stress.html - "smd/vol"_compute_smd_vol.html - "sna/atom"_compute_sna_atom.html - calculate bispectrum coefficients for each atom "snad/atom"_compute_sna_atom.html - derivative of bispectrum coefficients for each atom "snav/atom"_compute_sna_atom.html - virial contribution from bispectrum coefficients for each atom "spin"_compute_spin.html - "stress/atom"_compute_stress_atom.html - stress tensor for each atom "stress/mop"_compute_stress_mop.html - "stress/mop/profile"_compute_stress_mop.html - "stress/tally"_compute_tally.html - "tdpd/cc/atom"_compute_tdpd_cc_atom.html - "temp"_compute_temp.html - temperature of group of atoms "temp/asphere"_compute_temp_asphere.html - temperature of aspherical particles "temp/body"_compute_temp_body.html - temperature of body particles Loading @@ -244,16 +295,23 @@ compute"_Commands_compute.html doc page are followed by one or more of "temp/com"_compute_temp_com.html - temperature after subtracting center-of-mass velocity "temp/cs"_compute_temp_cs.html - "temp/deform"_compute_temp_deform.html - temperature excluding box deformation velocity "temp/deform/eff"_compute_temp_deform_eff.html - "temp/drude"_compute_temp_drude.html - "temp/eff"_compute_temp_eff.html - "temp/partial"_compute_temp_partial.html - temperature excluding one or more dimensions of velocity "temp/profile"_compute_temp_profile.html - temperature excluding a binned velocity profile "temp/ramp"_compute_temp_ramp.html - temperature excluding ramped velocity component "temp/region"_compute_temp_region.html - temperature of a region of atoms "temp/region/eff"_compute_temp_region_eff.html - "temp/rotate"_compute_temp_rotate.html - "temp/sphere"_compute_temp_sphere.html - temperature of spherical particles "temp/uef"_compute_temp_uef.html - "ti"_compute_ti.html - thermodynamic integration free energy values "torque/chunk"_compute_torque_chunk.html - torque applied on each chunk "vacf"_compute_vacf.html - velocity-autocorrelation function of group of atoms "vcm/chunk"_compute_vcm_chunk.html - velocity of center-of-mass for each chunk "voronoi/atom"_compute_voronoi_atom.html - Voronoi volume and neighbors for each atom :ul "voronoi/atom"_compute_voronoi_atom.html - Voronoi volume and neighbors for each atom "xrd"_compute_xrd.html - :ul [Restrictions:] none Loading doc/src/dihedral_style.txt +9 −1 Changes for doc/src/dihedral_style.txt: 9 added lines, 1 removed line. Original line number Diff line number Diff line Loading @@ -90,11 +90,19 @@ doc page. "hybrid"_dihedral_hybrid.html - define multiple styles of dihedral interactions :ul "charmm"_dihedral_charmm.html - CHARMM dihedral "charmmfsw"_dihedral_charmm.html - "class2"_dihedral_class2.html - COMPASS (class 2) dihedral "cosine/shift/exp"_dihedral_cosine_shift_exp.html - "fourier"_dihedral_fourier.html - "harmonic"_dihedral_harmonic.html - harmonic dihedral "helix"_dihedral_helix.html - helix dihedral "multi/harmonic"_dihedral_multi_harmonic.html - multi-harmonic dihedral "opls"_dihedral_opls.html - OPLS dihedral :ul "nharmonic"_dihedral_nharmonic.html - "opls"_dihedral_opls.html - OPLS dihedral "quadratic"_dihedral_quadratic.html - "spherical"_dihedral_spherical.html - "table"_dihedral_table.html - "table/cut"_dihedral_table_cut.html - :ul :line Loading Loading
doc/src/Commands_pair.txt +3 −3 Changes for doc/src/Commands_pair.txt: 3 added lines, 3 removed lines. Original line number Diff line number Diff line Loading @@ -68,13 +68,13 @@ OPT. "coul/diel (o)"_pair_coul_diel.html, "coul/dsf (gko)"_pair_coul.html, "coul/long (gko)"_pair_coul.html, "coul/long/cs"_pair_coul.html, "coul/long/cs (g)"_pair_cs.html, "coul/long/soft (o)"_pair_lj_soft.html, "coul/msm (o)"_pair_coul.html, "coul/shield"_pair_coul_shield.html, "coul/streitz"_pair_coul.html, "coul/wolf (ko)"_pair_coul.html, "coul/wolf/cs"_pair_coul.html, "coul/wolf/cs"_pair_cs.html, "dpd (gio)"_pair_dpd.html, "dpd/fdt"_pair_dpd_fdt.html, "dpd/fdt/energy (k)"_pair_dpd_fdt.html, Loading Loading @@ -127,7 +127,7 @@ OPT. "lj/cut/coul/debye (gko)"_pair_lj.html, "lj/cut/coul/dsf (gko)"_pair_lj.html, "lj/cut/coul/long (gikot)"_pair_lj.html, "lj/cut/coul/long/cs"_pair_lj.html, "lj/cut/coul/long/cs"_pair_cs.html, "lj/cut/coul/long/soft (o)"_pair_lj_soft.html, "lj/cut/coul/msm (go)"_pair_lj.html, "lj/cut/coul/wolf (o)"_pair_lj.html, Loading
doc/src/angle_style.txt +9 −0 Changes for doc/src/angle_style.txt: 9 added lines, 0 removed lines. Original line number Diff line number Diff line Loading @@ -68,11 +68,20 @@ doc page. "charmm"_angle_charmm.html - CHARMM angle "class2"_angle_class2.html - COMPASS (class 2) angle "class2/p6"_angle_class2.html - "cosine"_angle_cosine.html - cosine angle potential "cosine/buck6d"_angle_cosine_buck6d.html - "cosine/delta"_angle_cosine_delta.html - difference of cosines angle potential "cosine/periodic"_angle_cosine_periodic.html - DREIDING angle "cosine/shift"_angle_cosine_shift.html - "cosine/shift/exp"_angle_cosine_shift_exp.html - "cosine/squared"_angle_cosine_squared.html - cosine squared angle potential "dipole"_angle_dipole.html - "fourier"_angle_fourier.html - "fourier/simple"_angle_fourier_simple.html - "harmonic"_angle_harmonic.html - harmonic angle "quartic"_angle_quartic.html - "sdk"_angle_sdk.html - "table"_angle_table.html - tabulated by angle :ul :line Loading
doc/src/bond_style.txt +5 −0 Changes for doc/src/bond_style.txt: 5 added lines, 0 removed lines. Original line number Diff line number Diff line Loading @@ -76,9 +76,14 @@ bond styles is on the "Commands bond"_Commands_bond.html doc page. "class2"_bond_class2.html - COMPASS (class 2) bond "fene"_bond_fene.html - FENE (finite-extensible non-linear elastic) bond "fene/expand"_bond_fene_expand.html - FENE bonds with variable size particles "gromos"_bond_gromos.html - "harmonic"_bond_harmonic.html - harmonic bond "harmonic/shift"_bond_harmonic_shift.html - "harmonic/shift/cut"_bond_harmonic_shift_cut.html - "morse"_bond_morse.html - Morse bond "nonlinear"_bond_nonlinear.html - nonlinear bond "oxdna/fene"_bond_oxdna.html - "oxdna2/fene"_bond_oxdna.html - "quartic"_bond_quartic.html - breakable quartic bond "table"_bond_table.html - tabulated by bond length :ul Loading
doc/src/compute.txt +60 −2 Changes for doc/src/compute.txt: 60 added lines, 2 removed lines. Original line number Diff line number Diff line Loading @@ -175,9 +175,13 @@ The individual style names on the "Commands compute"_Commands_compute.html doc page are followed by one or more of (g,i,k,o,t) to indicate which accelerated styles exist. "ackland/atom"_compute_ackland_atom.html - "aggregate/atom"_compute_cluster_atom.html - aggregate ID for each atom "angle"_compute_angle.html - "angle/local"_compute_angle_local.html - "angle/local"_compute_bond_local.html - theta and energy of each angle "angmom/chunk"_compute_angmom_chunk.html - angular momentum for each chunk "basal/atom"_compute_basal_atom.html - "body/local"_compute_body_local.html - attributes of body sub-particles "bond"_compute_bond.html - values computed by a bond style "bond/local"_compute_bond_local.html - distance and energy of each bond Loading @@ -186,30 +190,48 @@ compute"_Commands_compute.html doc page are followed by one or more of "chunk/spread/atom"_compute_chunk_spread_atom.html - spreads chunk values to each atom in chunk "cluster/atom"_compute_cluster_atom.html - cluster ID for each atom "cna/atom"_compute_cna_atom.html - common neighbor analysis (CNA) for each atom "cnp/atom"_compute_cnp_atom.html - "com"_compute_com.html - center-of-mass of group of atoms "com/chunk"_compute_com_chunk.html - center-of-mass for each chunk "contact/atom"_compute_contact_atom.html - contact count for each spherical particle "coord/atom"_compute_coord_atom.html - coordination number for each atom "damage/atom"_compute_damage_atom.html - Peridynamic damage for each atom "dihedral"_compute_dihedral.html - "dihedral/local"_compute_dihedral_local.html - angle of each dihedral "dilatation/atom"_compute_dilatation_atom.html - Peridynamic dilatation for each atom "dipole/chunk"_compute_dipole_chunk.html - "displace/atom"_compute_displace_atom.html - displacement of each atom "dpd"_compute_dpd.html - "dpd/atom"_compute_dpd_atom.html - "edpd/temp/atom"_compute_edpd_temp_atom.html - "entropy/atom"_compute_entropy_atom.html - "erotate/asphere"_compute_erotate_asphere.html - rotational energy of aspherical particles "erotate/rigid"_compute_erotate_rigid.html - rotational energy of rigid bodies "erotate/sphere"_compute_erotate_sphere.html - rotational energy of spherical particles "erotate/sphere/atom"_compute_erotate_sphere.html - rotational energy for each spherical particle "erotate/sphere/atom"_compute_erotate_sphere_atom.html - "event/displace"_compute_event_displace.html - detect event on atom displacement "fep"_compute_fep.html - "force/tally"_compute_tally.html - "fragment/atom"_compute_cluster_atom.html - fragment ID for each atom "global/atom"_compute_global_atom.html - "group/group"_compute_group_group.html - energy/force between two groups of atoms "gyration"_compute_gyration.html - radius of gyration of group of atoms "gyration/chunk"_compute_gyration_chunk.html - radius of gyration for each chunk "heat/flux"_compute_heat_flux.html - heat flux through a group of atoms "heat/flux/tally"_compute_tally.html - "hexorder/atom"_compute_hexorder_atom.html - bond orientational order parameter q6 "improper"_compute_improper.html - "improper/local"_compute_improper_local.html - angle of each improper "inertia/chunk"_compute_inertia_chunk.html - inertia tensor for each chunk "ke"_compute_ke.html - translational kinetic energy "ke/atom"_compute_ke_atom.html - kinetic energy for each atom "ke/atom/eff"_compute_ke_atom_eff.html - "ke/eff"_compute_ke_eff.html - "ke/rigid"_compute_ke_rigid.html - translational kinetic energy of rigid bodies "meso/e/atom"_compute_meso_e_atom.html - "meso/rho/atom"_compute_meso_rho_atom.html - "meso/t/atom"_compute_meso_t_atom.html - "msd"_compute_msd.html - mean-squared displacement of group of atoms "msd/chunk"_compute_msd_chunk.html - mean-squared displacement for each chunk "msd/nongauss"_compute_msd_nongauss.html - MSD and non-Gaussian parameter of group of atoms Loading @@ -219,24 +241,53 @@ compute"_Commands_compute.html doc page are followed by one or more of "pair/local"_compute_pair_local.html - distance/energy/force of each pairwise interaction "pe"_compute_pe.html - potential energy "pe/atom"_compute_pe_atom.html - potential energy for each atom "pe/mol/tally"_compute_tally.html - "pe/tally"_compute_tally.html - "plasticity/atom"_compute_plasticity_atom.html - Peridynamic plasticity for each atom "pressure"_compute_pressure.html - total pressure and pressure tensor "pressure/cylinder"_compute_pressure_cylinder.html - "pressure/uef"_compute_pressure_uef.html - "property/atom"_compute_property_atom.html - convert atom attributes to per-atom vectors/arrays "property/local"_compute_property_local.html - convert local attributes to localvectors/arrays "property/chunk"_compute_property_chunk.html - extract various per-chunk attributes "property/local"_compute_property_local.html - convert local attributes to localvectors/arrays "ptm/atom"_compute_ptm_atom.html - "rdf"_compute_rdf.html - radial distribution function g(r) histogram of group of atoms "reduce"_compute_reduce.html - combine per-atom quantities into a single global value "reduce/chunk"_compute_reduce_chunk.html - reduce per-atom quantities within each chunk "reduce/region"_compute_reduce.html - same as compute reduce, within a region "rigid/local"_compute_rigid_local.html - extract rigid body attributes "saed"_compute_saed.html - "slice"_compute_slice.html - extract values from global vector or array "smd/contact/radius"_compute_smd_contact_radius.html - "smd/damage"_compute_smd_damage.html - "smd/hourglass/error"_compute_smd_hourglass_error.html - "smd/internal/energy"_compute_smd_internal_energy.html - "smd/plastic/strain"_compute_smd_plastic_strain.html - "smd/plastic/strain/rate"_compute_smd_plastic_strain_rate.html - "smd/rho"_compute_smd_rho.html - "smd/tlsph/defgrad"_compute_smd_tlsph_defgrad.html - "smd/tlsph/dt"_compute_smd_tlsph_dt.html - "smd/tlsph/num/neighs"_compute_smd_tlsph_num_neighs.html - "smd/tlsph/shape"_compute_smd_tlsph_shape.html - "smd/tlsph/strain"_compute_smd_tlsph_strain.html - "smd/tlsph/strain/rate"_compute_smd_tlsph_strain_rate.html - "smd/tlsph/stress"_compute_smd_tlsph_stress.html - "smd/triangle/vertices"_compute_smd_triangle_vertices.html - "smd/triangle/vertices"_compute_smd_triangle_vertices.html - "smd/ulsph/num/neighs"_compute_smd_ulsph_num_neighs.html - "smd/ulsph/strain"_compute_smd_ulsph_strain.html - "smd/ulsph/strain/rate"_compute_smd_ulsph_strain_rate.html - "smd/ulsph/stress"_compute_smd_ulsph_stress.html - "smd/vol"_compute_smd_vol.html - "sna/atom"_compute_sna_atom.html - calculate bispectrum coefficients for each atom "snad/atom"_compute_sna_atom.html - derivative of bispectrum coefficients for each atom "snav/atom"_compute_sna_atom.html - virial contribution from bispectrum coefficients for each atom "spin"_compute_spin.html - "stress/atom"_compute_stress_atom.html - stress tensor for each atom "stress/mop"_compute_stress_mop.html - "stress/mop/profile"_compute_stress_mop.html - "stress/tally"_compute_tally.html - "tdpd/cc/atom"_compute_tdpd_cc_atom.html - "temp"_compute_temp.html - temperature of group of atoms "temp/asphere"_compute_temp_asphere.html - temperature of aspherical particles "temp/body"_compute_temp_body.html - temperature of body particles Loading @@ -244,16 +295,23 @@ compute"_Commands_compute.html doc page are followed by one or more of "temp/com"_compute_temp_com.html - temperature after subtracting center-of-mass velocity "temp/cs"_compute_temp_cs.html - "temp/deform"_compute_temp_deform.html - temperature excluding box deformation velocity "temp/deform/eff"_compute_temp_deform_eff.html - "temp/drude"_compute_temp_drude.html - "temp/eff"_compute_temp_eff.html - "temp/partial"_compute_temp_partial.html - temperature excluding one or more dimensions of velocity "temp/profile"_compute_temp_profile.html - temperature excluding a binned velocity profile "temp/ramp"_compute_temp_ramp.html - temperature excluding ramped velocity component "temp/region"_compute_temp_region.html - temperature of a region of atoms "temp/region/eff"_compute_temp_region_eff.html - "temp/rotate"_compute_temp_rotate.html - "temp/sphere"_compute_temp_sphere.html - temperature of spherical particles "temp/uef"_compute_temp_uef.html - "ti"_compute_ti.html - thermodynamic integration free energy values "torque/chunk"_compute_torque_chunk.html - torque applied on each chunk "vacf"_compute_vacf.html - velocity-autocorrelation function of group of atoms "vcm/chunk"_compute_vcm_chunk.html - velocity of center-of-mass for each chunk "voronoi/atom"_compute_voronoi_atom.html - Voronoi volume and neighbors for each atom :ul "voronoi/atom"_compute_voronoi_atom.html - Voronoi volume and neighbors for each atom "xrd"_compute_xrd.html - :ul [Restrictions:] none Loading
doc/src/dihedral_style.txt +9 −1 Changes for doc/src/dihedral_style.txt: 9 added lines, 1 removed line. Original line number Diff line number Diff line Loading @@ -90,11 +90,19 @@ doc page. "hybrid"_dihedral_hybrid.html - define multiple styles of dihedral interactions :ul "charmm"_dihedral_charmm.html - CHARMM dihedral "charmmfsw"_dihedral_charmm.html - "class2"_dihedral_class2.html - COMPASS (class 2) dihedral "cosine/shift/exp"_dihedral_cosine_shift_exp.html - "fourier"_dihedral_fourier.html - "harmonic"_dihedral_harmonic.html - harmonic dihedral "helix"_dihedral_helix.html - helix dihedral "multi/harmonic"_dihedral_multi_harmonic.html - multi-harmonic dihedral "opls"_dihedral_opls.html - OPLS dihedral :ul "nharmonic"_dihedral_nharmonic.html - "opls"_dihedral_opls.html - OPLS dihedral "quadratic"_dihedral_quadratic.html - "spherical"_dihedral_spherical.html - "table"_dihedral_table.html - "table/cut"_dihedral_table_cut.html - :ul :line Loading
