Skip to content

Latest commit

 

History

History
111 lines (100 loc) · 10.9 KB

reference.md

File metadata and controls

111 lines (100 loc) · 10.9 KB
layout permalink root
reference
/reference/
..

Glossary

{:auto_ids} package-OPT : As of 3Mar20 version of LAMMPS, the following list of functionalities are available with the OPT package

| Pair styles       |
| :---------------: |
|eam_alloy          |
|eam_fs             |
|eam                |
|lj_charmm_coul_long|
|lj_cut_coul_long   |
|lj_cut             |
|lj_cut_tip4p_long  |
|lj_long_coul_long  |
|morse              |
|ufm                |

package-USER-INTEL : As of 3Mar20 version of LAMMPS, the following list of functionalities are available with the USER-INTEL package

| Pair styles         | Bond styles | Angle styles | Improper styles | Dihedral styles | Fix styles | K-space styles | Integrator styles |
| :------------------ | :---------- | :----------- | :-------------- | :-------------- | :--------- | :------------- | :---------------- |
|airebo               | fene        | charmm       | cvff            | charmm          | nve        | pppm           | verlet_lrt        |
|airebo_morse         | harmonic    | harmonic     | harmonic        | fourier         | nvt        | pppm_disp      |                   |
|buck_coul_cut        |             |              |                 | harmonic        | npt        |                |                   |
|buck_coul_long       |             |              |                 | opls            | nh         |                |                   | 
|buck                 |             |              |                 |                 | nve_asphere|                |                   |
|dpd                  |             |              |                 |                 | nvt_sllod  |                |                   |
|eam_alloy            |             |              |                 |                 |            |                |                   |
|eam_fs               |             |              |                 |                 |            |                |                   |
|eam                  |             |              |                 |                 |            |                |                   |
|gayberne             |             |              |                 |                 |            |                |                   |
|lj_charmm_coul_charmm|             |              |                 |                 |            |                |                   |
|lj_charmm_coul_long  |             |              |                 |                 |            |                |                   |
|lj_cut_coul_long     |             |              |                 |                 |            |                |                   |
|lj_cut               |             |              |                 |                 |            |                |                   |
|lj_long_coul_long    |             |              |                 |                 |            |                |                   |
|rebo                 |             |              |                 |                 |            |                |                   |
|sw                   |             |              |                 |                 |            |                |                   |
|tersoff              |             |              |                 |                 |            |                |                   |

package-USER-OMP : As of 3Mar20 version of LAMMPS, the following list of functionalities are available with the USER-OMP package

| Pair styles         |                       |                               |                        |                      |                         |
| :------------------ | :-------------------- | :---------------------------- | :--------------------- | :------------------- | :---------------------- |
|adp                  |agni                   |airebo_morse                   |airbo                   |beck                  |born_coul_long           |
|born_coul_msm        |born_coul_wolf         |born                           |brownian                |brownian_poly         |buck_coul_cut            |
|buck_coul_long       |buck_coul_msm          |buck_long_coul_long            |buck                    |colloid               |comb                     |
|coul_cut             |coul_cut_soft          |coul_debye                     |coul_diel               |coul_dsf              |coul_long                |
|coul_long_soft       |coul_msm               |coul_wolf                      |dpd                     |dpd_tstat             |eam_alloy                |
|eam_cd               |eam_fs                 |eam                            |edip                    |eim                   |gauss_cut                |
|gauss                |gayberne               |gran_hertz_history             |gran_hooke_history      |gran_hooke            |hbond_dreiding_lj        |
|hbond_dreiding_morse |lj96_cut               |lj_charmm_coul_charmm_implicit |lj_charmm_coul_charmm   |lj_charmm_coul_long   |lj_charmm_coul_long_soft |
|lj_charmm_coul_msm   |lj_class2_coul_cut     |lj_class2_coul_long            |lj_class2               |lj_cubic              |lj_cut_coul_cut          |
|lj_cut_coul_cut_soft |lj_cut_coul_debye      |lj_cut_coul_dsf                |lj_cut_coul_long        |lj_cut_coul_long_soft |lj_cut_coul_msm          |
|lj_cut_coul_wolf     |lj_cut_dipole_cut      |lj_cut                         |lj_cut_soft             |lj_cut_thole_long     |lj_cut_tip4p_cut         |
|lj_cut_tip4p_long    |lj_cut_tip4p_long_soft |lj_expand                      |lj_gromacs_coul_gromacs |lj_gromacs            |lj_long_coul_long        |
|lj_long_tip4p_long   |lj_sdk_coul_long       |lj_sdk_coul_msm                |lj_sdk                  |lj_sf_dipole_sf       |lj_smooth_linear         |
|lj_smooth_linear     |lj_smooth              |lubricate                      |lubricate_poly          |meam_spline           |morse                    |
|morse_smooth_linear  |nm_cut_coul_cut        |nm_cut_coul_long               |nm_cut                  |peri_lps              |peri_pmb                 |
|reaxc                |rebo                   |resquared                      |soft                    |sw                    |table                    |
|tersoff_mod_c        |tersoff_mod            |tersoff                        |tersoff_table           |tersoff_zbl           |tip4p_cut                |
|tip4p_long           |tip4p_long_soft        |umf                            |vashishta               |vashishta_table       |yukawa_colloid           |
|yukawa               |zbl                    |                               |                        |                      |                         |

| Bond styles        | Angle styles     | Improper styles | Dihedral styles  | Fix styles    |             | K-space styles  |
| :----------------- | :--------------- | :-------------- | :--------------- | :------------ | :---------- |:--------------- | 
| class2             | charmm           | class2          | charmm           | gravity       | nvt_sllod   | pppm_cg         |
| fene_expand        | class2           | cossq           | class2           | neigh_history | nvt_sphere  | pppm_disp       |
| fene               | cosine_delta     | cvff            | cosine_shift_exp | nh_asphere    | peri_neigh  | pppm_disp_tip4p |
| gromos             | cosine           | fourier         | fourier          | nh            | qeq_comb    | pppm            |
| harmonic           | cosine_periodic  | harmonic        | harmonic         | nh_sphere     | qeq_reax    | pppm_tip4p      |
| harmonic_shift_cut | cosine_shift_exp | ring            | helix            | nph_asphere   | rigid_nh    |                 |
| harmonic_shift     | cosine_shift     | umbrella        | multi_harmonic   | nph           | rigid_nph   |                 |
| morse              | cosine_squared   |                 | nharmonic        | nph_sphere    | rigid_npt   |                 |
| nonlinear          | dipole           |                 | opls             | npt_asphere   | rigid_nve   |                 |
| quartic            | fourier          |                 | quadratic        | npt           | rigid_nvt   |                 |
| table              | fourier_simple   |                 | table            | npt_sphere    | rigid       |                 |
|                    | harmonic         |                 |                  | nve           | rigid_small |                 |
|                    | quartic          |                 |                  | nve_sphere    |             |                 |
|                    | sdk              |                 |                  | nvt_asphere   |             |                 |
|                    | table            |                 |                  | nvt           |             |                 |

package-GPU : As of 3Mar20 version of LAMMPS, the following list of functionalities are available with the GPU package

|                    |                     |    Pair styles   |                     |                    | K-space style |
| :----------------- | :------------------ | :--------------- | :------------------ | :----------------- | :------------ |
| beck               | born_coul_long_cs   |born_coul_long    | born_coul_wolf_cs   |born_coul_wolf      | pppm          |
| born               | buck_coul_cut       |buck_coul_long    | buck                |colloid             |               |
| coul_cut           | coul_debye          |coul_dsf          | coul_long_cs        |coul_long           |               |
| dpd                | dpd_tstat           |eam_alloy         | eam_fs              |eam                 |               |
| gauss              | gayberne            |lj96_cut          | lj_charmm_coul_long |lj_class2_coul_long |               |
| lj_class2          | lj_cubic            |lj_cut_coul_cut   | lj_cut_coul_deby    |lj_cut_coul_dsf     |               |
| lj_cut_coul_long   | lj_cut_coul_msm     |lj_cut_dipole_cut | lj_cut_dipole_long  |lj_cut              |               |
| lj_cut_tip4p_long  | lj_expand_coul_long |lj_expand         | lj_gromacs          |lj_sdk_coul_long    |               |
| lj_sdk             | lj_sf_dipole_sf     |mie_cut           | morse               |resquared           |               |
| soft               | sw                  |table             | tersoff             |tersoff_mod         |               |
| tersoff_zbl        | ufm                 |vashishta         | yukawa_colloid      |yukawa              |               |
| zbl                |                     |                  |                     |                    |               |

{% include links.md %}