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/dports/science/lammps/lammps-stable_29Sep2021/doc/src/
H A DCommands_kspace.rst17 All LAMMPS :doc:`kspace_style <kspace_style>` solvers. Some styles have
25 * :doc:`ewald (o) <kspace_style>`
26 * :doc:`ewald/disp <kspace_style>`
28 * :doc:`ewald/dipole <kspace_style>`
30 * :doc:`msm (o) <kspace_style>`
31 * :doc:`msm/cg (o) <kspace_style>`
33 * :doc:`pppm (giko) <kspace_style>`
34 * :doc:`pppm/cg (o) <kspace_style>`
35 * :doc:`pppm/dipole <kspace_style>`
41 * :doc:`pppm/stagger <kspace_style>`
[all …]
H A Dpair_spin_dipole.rst79 A :doc:`kspace_style <kspace_style>` must be defined to
80 … style. Currently, :doc:`kspace_style ewald/dipole/spin <kspace_style>` and :doc:`kspace_style pp…
109 :doc:`pair_coeff <pair_coeff>`, :doc:`kspace_style <kspace_style>`
H A Dkspace_style.rst1 .. index:: kspace_style ewald
2 .. index:: kspace_style ewald/dipole
4 .. index:: kspace_style ewald/disp
6 .. index:: kspace_style ewald/omp
7 .. index:: kspace_style pppm
8 .. index:: kspace_style pppm/kk
26 .. index:: kspace_style msm
33 kspace_style command
41 kspace_style style value
125 kspace_style none
[all …]
H A Dkspace_modify.rst71 :doc:`kspace_style <kspace_style>` command. Not all parameters are
87 even though a :doc:`kspace_style <kspace_style>` is defined. This is
91 defining a :doc:`kspace_style <kspace_style>`, but a Kspace-compatible
162 the :doc:`kspace_style <kspace_style>` command with an absolute
320 ScaFaCoS library when using :doc:`kspace_style scafacos <kspace_style>`.
323 :doc:`kspace_style <kspace_style>` command is interpreted by ScaFaCoS.
353 :doc:`kspace_style <kspace_style>` doc page.
401 :ref:`(Klapp) <Klapp>` in :doc:`kspace_style <kspace_style>` *ewald/disp*,
442 :doc:`kspace_style <kspace_style>`, :doc:`boundary <boundary>`
H A Dfix_tune_kspace.rst70 :doc:`kspace_style <kspace_style>` and :doc:`kspace_modify <kspace_modify>`
95 :doc:`kspace_style <kspace_style>`, :doc:`boundary <boundary>`
/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/
H A Dfix_tune_kspace.cpp49 acc_str(""), kspace_style(""), pair_style(""), base_pair_style("") in FixTuneKspace()
129 if (utils::strmatch(force->kspace_style,"^ewald")) ewald_time = time; in pre_exchange()
130 if (utils::strmatch(force->kspace_style,"^pppm")) pppm_time = time; in pre_exchange()
131 if (utils::strmatch(force->kspace_style,"^msm")) msm_time = time; in pre_exchange()
159 kspace_style = "ewald"; in pre_exchange()
162 kspace_style = "pppm"; in pre_exchange()
164 kspace_style = "msm"; in pre_exchange()
168 update_kspace_style(kspace_style,acc_str); in pre_exchange()
210 kspace_style = force->kspace_style; in store_old_kspace_settings()
300 if (utils::strmatch(force->kspace_style,"^msm")) return; in adjust_rcut()
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/scafacos/
H A Din.scafacos21 #kspace_style pppm 1.0e-3
31 kspace_style scafacos p3m 0.001
32 #kspace_style scafacos tolerance field
H A Din.scafacos.ewald21 #kspace_style pppm 1.0e-3
31 kspace_style scafacos ewald 0.001
H A Din.scafacos.p2nfft21 #kspace_style pppm 1.0e-3
31 kspace_style scafacos p2nfft 0.001
H A Din.scafacos.fmm21 #kspace_style pppm 1.0e-3
31 kspace_style scafacos fmm 0.001
H A Din.scafacos.p3m21 #kspace_style pppm 1.0e-3
31 kspace_style scafacos p3m 0.001
H A Din.scafacos.hsph.direct20 #kspace_style pppm 1.0e-3
30 kspace_style scafacos direct 0.001
H A Din.scafacos.hsph.p2nfft20 #kspace_style pppm 1.0e-3
30 kspace_style scafacos p2nfft 0.001
H A Din.scafacos.hsph.fmm20 #kspace_style pppm 1.0e-3
30 kspace_style scafacos fmm 0.001
H A Dlog.27Nov18.scafacos.g++.431 #kspace_style pppm 1.0e-3
41 kspace_style scafacos p3m 0.001
42 #kspace_style scafacos tolerance field
H A Dlog.27Nov18.scafacos.g++.131 #kspace_style pppm 1.0e-3
41 kspace_style scafacos p3m 0.001
42 #kspace_style scafacos tolerance field
H A Din.scafacos.cw.fmm19 #kspace_style pppm 1.0e-3
21 kspace_style scafacos fmm 1.0e-3
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dforce.cpp117 kspace_style = new char[n]; in Force()
118 strcpy(kspace_style,str); in Force()
141 delete [] kspace_style; in ~Force()
596 delete [] kspace_style; in create_kspace()
606 kspace_style = new char[n]; in create_kspace()
607 strcpy(kspace_style,estyle); in create_kspace()
610 kspace_style = new char[n]; in create_kspace()
611 strcpy(kspace_style,arg[0]); in create_kspace()
660 if (exact && strcmp(kspace_style,word) == 0) return kspace; in kspace_match()
661 else if (!exact && strstr(kspace_style,word)) return kspace; in kspace_match()
/dports/science/lammps/lammps-stable_29Sep2021/tools/i-pi/examples/lammps/h2o-pimd/
H A Din.water9 #kspace_style pppm 0.0001
10 kspace_style pppm/tip4p 0.0001
/dports/science/lammps/lammps-stable_29Sep2021/tools/i-pi/examples/lammps/h2o-piglet.2/
H A Din.water9 #kspace_style pppm 0.0001
10 kspace_style pppm/tip4p 0.0001
/dports/science/lammps/lammps-stable_29Sep2021/tools/i-pi/examples/lammps/h2o-piglet.4/
H A Din.water9 #kspace_style pppm 0.0001
10 kspace_style pppm/tip4p 0.0001
/dports/science/lammps/lammps-stable_29Sep2021/tools/i-pi/examples/lammps/h2o-piglet.8/
H A Din.water9 #kspace_style pppm 0.0001
10 kspace_style pppm/tip4p 0.0001
/dports/science/lammps/lammps-stable_29Sep2021/tools/i-pi/examples/lammps/h2o-pimd-rpc/
H A Din.water_longrange9 #kspace_style pppm 0.0001
10 kspace_style pppm/tip4p 0.0001
H A Din.water_shortrange9 #kspace_style pppm 0.0001
10 #kspace_style pppm/tip4p 0.0001
/dports/science/lammps/lammps-stable_29Sep2021/unittest/force-styles/
H A Dtest_config.h46 std::string kspace_style; variable
75 improper_style("zero"), kspace_style("none"), natoms(0), init_energy(0), run_energy(0), in TestConfig()

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