/dports/science/lammps/lammps-stable_29Sep2021/doc/src/ |
H A D | pair_cs.rst | 1 .. index:: pair_style born/coul/dsf/cs 2 .. index:: pair_style born/coul/long/cs 4 .. index:: pair_style born/coul/wolf/cs 7 .. index:: pair_style coul/long/cs 9 .. index:: pair_style coul/wolf/cs 13 pair_style born/coul/dsf/cs command 16 pair_style born/coul/long/cs command 29 pair_style coul/long/cs command 34 pair_style coul/wolf/cs command 48 pair_style style args [all …]
|
H A D | pair_dielectric.rst | 1 .. index:: pair_style coul/cut/dielectric 2 .. index:: pair_style coul/long/dielectric 3 .. index:: pair_style lj/cut/coul/cut/dielectric 5 .. index:: pair_style lj/cut/coul/debye/dielectric 6 .. index:: pair_style lj/cut/coul/long/dielectric 8 .. index:: pair_style lj/cut/coul/msm/dielectric 11 pair_style coul/cut/dielectric command 14 pair_style coul/long/dielectric command 17 pair_style lj/cut/coul/cut/dielectric command 41 pair_style style args [all …]
|
H A D | pair_coul.rst | 1 .. index:: pair_style coul/cut 2 .. index:: pair_style coul/cut/gpu 3 .. index:: pair_style coul/cut/kk 4 .. index:: pair_style coul/cut/omp 5 .. index:: pair_style coul/debye 9 .. index:: pair_style coul/dsf 31 pair_style coul/cut command 41 pair_style coul/dsf command 59 pair_style coul/msm command 107 pair_style coul/cut 2.5 [all …]
|
H A D | pair_buck.rst | 1 .. index:: pair_style buck 2 .. index:: pair_style buck/gpu 3 .. index:: pair_style buck/intel 4 .. index:: pair_style buck/kk 5 .. index:: pair_style buck/omp 6 .. index:: pair_style buck/coul/cut 19 pair_style buck command 24 pair_style buck/coul/cut command 44 pair_style style args 68 pair_style buck 2.5 [all …]
|
H A D | pair_born.rst | 1 .. index:: pair_style born 2 .. index:: pair_style born/omp 3 .. index:: pair_style born/gpu 4 .. index:: pair_style born/coul/long 7 .. index:: pair_style born/coul/msm 14 pair_style born command 19 pair_style born/coul/long command 24 pair_style born/coul/msm command 42 pair_style style args 71 pair_style born 10.0 [all …]
|
H A D | pair_lj.rst | 1 .. index:: pair_style lj/cut 2 .. index:: pair_style lj/cut/gpu 3 .. index:: pair_style lj/cut/intel 4 .. index:: pair_style lj/cut/kk 5 .. index:: pair_style lj/cut/opt 6 .. index:: pair_style lj/cut/omp 8 pair_style lj/cut command 18 pair_style style args 33 pair_style lj/cut 2.5 71 LJ cutoff specified in the pair_style command are used. [all …]
|
H A D | pair_lj_cut_coul.rst | 1 .. index:: pair_style lj/cut/coul/cut 2 .. index:: pair_style lj/cut/coul/cut/gpu 3 .. index:: pair_style lj/cut/coul/cut/kk 4 .. index:: pair_style lj/cut/coul/cut/omp 5 .. index:: pair_style lj/cut/coul/debye 9 .. index:: pair_style lj/cut/coul/dsf 25 pair_style lj/cut/coul/cut command 35 pair_style lj/cut/coul/dsf command 45 pair_style lj/cut/coul/msm command 60 pair_style style args [all …]
|
H A D | pair_fep_soft.rst | 1 .. index:: pair_style lj/cut/soft 2 .. index:: pair_style lj/cut/soft/omp 20 .. index:: pair_style morse/soft 22 pair_style lj/cut/soft command 56 pair_style coul/cut/soft command 71 pair_style morse/soft command 79 pair_style style args 234 :math:`\alpha_\mathrm{C}` are set in the :doc:`pair_style <pair_style>` command, 271 :doc:`pair_style <pair_style>` command, after the specific parameters of the 280 the :doc:`pair_style <pair_style>` command, before the global cutoffs. The [all …]
|
H A D | pair_class2.rst | 1 .. index:: pair_style lj/class2 2 .. index:: pair_style lj/class2/gpu 3 .. index:: pair_style lj/class2/kk 4 .. index:: pair_style lj/class2/omp 5 .. index:: pair_style lj/class2/coul/cut 8 .. index:: pair_style lj/class2/coul/long 13 pair_style lj/class2 command 18 pair_style lj/class2/coul/cut command 23 pair_style lj/class2/coul/long command 33 pair_style style args [all …]
|
H A D | pair_brownian.rst | 1 .. index:: pair_style brownian 2 .. index:: pair_style brownian/omp 3 .. index:: pair_style brownian/poly 4 .. index:: pair_style brownian/poly/omp 6 pair_style brownian command 11 pair_style brownian/poly command 39 pair_style brownian 1.5 1 1 2.01 2.5 2.0 5878567 (assuming radius = 1) 76 cutoffs specified in the pair_style command are used. Otherwise both 117 Only spherical monodisperse particles are allowed for pair_style 120 Only spherical particles are allowed for pair_style brownian/poly. [all …]
|
H A D | pair_morse.rst | 1 .. index:: pair_style morse 2 .. index:: pair_style morse/gpu 3 .. index:: pair_style morse/omp 4 .. index:: pair_style morse/opt 5 .. index:: pair_style morse/smooth/linear 7 .. index:: pair_style morse/kk 9 pair_style morse command 14 pair_style morse/smooth/linear command 24 pair_style style args 41 pair_style morse 2.5 [all …]
|
H A D | pair_lebedeva_z.rst | 1 .. index:: pair_style lebedeva/z 3 pair_style lebedeva/z command 11 pair_style [hybrid/overlay ...] lebedeva/z cutoff 18 pair_style hybrid/overlay lebedeva/z 20.0 22 pair_style hybrid/overlay rebo lebedeva/z 14.0 51 Other interactions can be set to zero using pair_style *none*\ . 64 :doc:`pair_style none <pair_none>`, 65 :doc:`pair_style hybrid/overlay <pair_hybrid>`, 66 :doc:`pair_style drip <pair_drip>`, 67 :doc:`pair_style ilp/graphene/hbd <pair_ilp_graphene_hbn>`, [all …]
|
H A D | pair_sdk.rst | 1 .. index:: pair_style lj/sdk 2 .. index:: pair_style lj/sdk/gpu 3 .. index:: pair_style lj/sdk/kk 4 .. index:: pair_style lj/sdk/omp 5 .. index:: pair_style lj/sdk/coul/long 8 .. index:: pair_style lj/sdk/coul/msm 11 pair_style lj/sdk command 16 pair_style lj/sdk/coul/long command 21 pair_style lj/sdk/coul/msm command 31 pair_style style args [all …]
|
H A D | pair_charmm.rst | 1 .. index:: pair_style lj/charmm/coul/charmm 2 .. index:: pair_style lj/charmm/coul/charmm/gpu 3 .. index:: pair_style lj/charmm/coul/charmm/intel 4 .. index:: pair_style lj/charmm/coul/charmm/kk 9 .. index:: pair_style lj/charmm/coul/long 15 .. index:: pair_style lj/charmm/coul/msm 20 pair_style lj/charmm/coul/charmm command 30 pair_style lj/charmm/coul/long command 35 pair_style lj/charmm/coul/msm command 51 pair_style style args [all …]
|
H A D | pair_lj_expand.rst | 1 .. index:: pair_style lj/expand 2 .. index:: pair_style lj/expand/gpu 3 .. index:: pair_style lj/expand/kk 4 .. index:: pair_style lj/expand/omp 5 .. index:: pair_style lj/expand/coul/long 8 pair_style lj/expand command 13 pair_style lj/expand/coul/long command 23 pair_style lj/expand cutoff 32 pair_style lj/expand 2.5 36 pair_style lj/expand/coul/long 2.5 [all …]
|
H A D | pair_coul_slater.rst | 1 .. index:: pair_style coul/slater 2 .. index:: pair_style coul/slater/cut 3 .. index:: pair_style coul/slater/long 5 pair_style coul/slater command 8 pair_style coul/slater/cut command 11 pair_style coul/slater/long command 20 pair_style coul/slater/cut lambda cutoff 21 pair_style coul/slater/long lambda cutoff 32 pair_style coul/slater/cut 1.0 3.5 36 pair_style coul/slater/long 1.0 12.0 [all …]
|
H A D | pair_kolmogorov_crespi_z.rst | 1 .. index:: pair_style kolmogorov/crespi/z 3 pair_style kolmogorov/crespi/z command 11 pair_style [hybrid/overlay ...] kolmogorov/crespi/z cutoff 18 pair_style hybrid/overlay kolmogorov/crespi/z 20.0 22 pair_style hybrid/overlay rebo kolmogorov/crespi/z 14.0 56 Other interactions can be set to zero using pair_style *none*\ . 70 :doc:`pair_style hybrid/overlay <pair_hybrid>`, 71 :doc:`pair_style drip <pair_drip>`, 72 :doc:`pair_style ilp/graphene/hbn <pair_ilp_graphene_hbn>`. 73 :doc:`pair_style kolmogorov/crespi/full <pair_kolmogorov_crespi_full>`, [all …]
|
H A D | Howto_bioFF.rst | 34 * :doc:`pair_style <pair_charmm>` lj/charmmfsw/coul/long 35 * :doc:`pair_style <pair_charmm>` lj/charmm/coul/charmm 37 * :doc:`pair_style <pair_charmm>` lj/charmm/coul/long 70 * :doc:`pair_style <pair_class2>` lj/class2 71 * :doc:`pair_style <pair_class2>` lj/class2/coul/cut 72 * :doc:`pair_style <pair_class2>` lj/class2/coul/long 102 * :doc:`pair_style <pair_buck>` buck 103 * :doc:`pair_style <pair_buck>` buck/coul/cut 104 * :doc:`pair_style <pair_buck>` buck/coul/long 105 * :doc:`pair_style <pair_lj>` lj/cut [all …]
|
H A D | pair_nm.rst | 1 .. index:: pair_style nm/cut 2 .. index:: pair_style nm/cut/coul/cut 3 .. index:: pair_style nm/cut/coul/long 4 .. index:: pair_style nm/cut/omp 5 .. index:: pair_style nm/cut/coul/cut/omp 8 pair_style nm/cut command 13 pair_style nm/cut/coul/cut command 18 pair_style nm/cut/coul/long command 28 pair_style style args 49 pair_style nm/cut 12.0 [all …]
|
H A D | pair_gromacs.rst | 1 .. index:: pair_style lj/gromacs 2 .. index:: pair_style lj/gromacs/gpu 3 .. index:: pair_style lj/gromacs/kk 4 .. index:: pair_style lj/gromacs/omp 5 .. index:: pair_style lj/gromacs/coul/gromacs 6 .. index:: pair_style lj/gromacs/coul/gromacs/kk 7 .. index:: pair_style lj/gromacs/coul/gromacs/omp 9 pair_style lj/gromacs command 14 pair_style lj/gromacs/coul/gromacs command 24 pair_style style args [all …]
|
H A D | fix_shardlow.rst | 39 …hardlow* must be used with the :doc:`pair_style dpd/fdt <pair_style>` or :doc:`pair_style dpd/fdt/… 44 appropriate combination of the integrator and :doc:`pair_style dpd/fdt <pair_style>` command. DPD … 45 be specified by using fix *shardlow*, fix *nve* and pair_style 47 using fix *shardlow*, fix *nve* and pair_style *dpd/fdt/energy*\ . DPD 49 *nph* and pair_style *dpd/fdt*\ . DPD under isoenthalpic conditions can 50 be specified by using fix shardlow, fix *nph* and pair_style 80 :doc:`pair_style dpd/fdt <pair_dpd_fdt>`, :doc:`fix eos/cv <fix_eos_cv>`
|
H A D | pair_dpd.rst | 1 .. index:: pair_style dpd 2 .. index:: pair_style dpd/gpu 3 .. index:: pair_style dpd/intel 4 .. index:: pair_style dpd/omp 5 .. index:: pair_style dpd/tstat 6 .. index:: pair_style dpd/tstat/gpu 7 .. index:: pair_style dpd/tstat/omp 9 pair_style dpd command 14 pair_style dpd/tstat command 24 pair_style dpd T cutoff seed [all …]
|
H A D | pair_none.rst | 1 .. index:: pair_style none 3 pair_style none command 11 pair_style none 18 pair_style none 39 See the :doc:`pair_style zero <pair_zero>` for a way to trigger the 49 :doc:`pair_style zero <pair_zero>`
|
H A D | pair_peri.rst | 1 .. index:: pair_style peri/pmb 3 .. index:: pair_style peri/lps 5 .. index:: pair_style peri/ves 8 pair_style peri/pmb command 13 pair_style peri/lps command 18 pair_style peri/ves command 29 pair_style style 38 pair_style peri/pmb 41 pair_style peri/lps 44 pair_style peri/ves [all …]
|
/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/ |
H A D | fix_tune_kspace.cpp | 93 if (strncmp(force->pair_style,"hybrid",6) == 0) in init() 137 pair_style = base_pair_style + "/long"; in pre_exchange() 138 update_pair_style(pair_style,pair_cut_coul); in pre_exchange() 143 pair_style = base_pair_style + "/long"; in pre_exchange() 144 update_pair_style(pair_style,pair_cut_coul); in pre_exchange() 149 pair_style = base_pair_style + "/msm"; in pre_exchange() 160 pair_style = base_pair_style + "/long"; in pre_exchange() 165 pair_style = base_pair_style + "/msm"; in pre_exchange() 211 pair_style = force->pair_style; in store_old_kspace_settings() 218 else base_pair_style = pair_style; in store_old_kspace_settings() [all …]
|