/dports/science/lammps/lammps-stable_29Sep2021/doc/src/ |
H A D | Commands_kspace.rst | 17 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 …]
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H A D | pair_spin_dipole.rst | 79 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>`
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H A D | kspace_style.rst | 1 .. 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 …]
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H A D | kspace_modify.rst | 71 :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>`
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H A D | fix_tune_kspace.rst | 70 :doc:`kspace_style <kspace_style>` and :doc:`kspace_modify <kspace_modify>` 95 :doc:`kspace_style <kspace_style>`, :doc:`boundary <boundary>`
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/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/ |
H A D | fix_tune_kspace.cpp | 49 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 …]
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/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/scafacos/ |
H A D | in.scafacos | 21 #kspace_style pppm 1.0e-3 31 kspace_style scafacos p3m 0.001 32 #kspace_style scafacos tolerance field
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H A D | in.scafacos.ewald | 21 #kspace_style pppm 1.0e-3 31 kspace_style scafacos ewald 0.001
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H A D | in.scafacos.p2nfft | 21 #kspace_style pppm 1.0e-3 31 kspace_style scafacos p2nfft 0.001
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H A D | in.scafacos.fmm | 21 #kspace_style pppm 1.0e-3 31 kspace_style scafacos fmm 0.001
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H A D | in.scafacos.p3m | 21 #kspace_style pppm 1.0e-3 31 kspace_style scafacos p3m 0.001
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H A D | in.scafacos.hsph.direct | 20 #kspace_style pppm 1.0e-3 30 kspace_style scafacos direct 0.001
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H A D | in.scafacos.hsph.p2nfft | 20 #kspace_style pppm 1.0e-3 30 kspace_style scafacos p2nfft 0.001
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H A D | in.scafacos.hsph.fmm | 20 #kspace_style pppm 1.0e-3 30 kspace_style scafacos fmm 0.001
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H A D | log.27Nov18.scafacos.g++.4 | 31 #kspace_style pppm 1.0e-3 41 kspace_style scafacos p3m 0.001 42 #kspace_style scafacos tolerance field
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H A D | log.27Nov18.scafacos.g++.1 | 31 #kspace_style pppm 1.0e-3 41 kspace_style scafacos p3m 0.001 42 #kspace_style scafacos tolerance field
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H A D | in.scafacos.cw.fmm | 19 #kspace_style pppm 1.0e-3 21 kspace_style scafacos fmm 1.0e-3
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
H A D | force.cpp | 117 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()
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/dports/science/lammps/lammps-stable_29Sep2021/tools/i-pi/examples/lammps/h2o-pimd/ |
H A D | in.water | 9 #kspace_style pppm 0.0001 10 kspace_style pppm/tip4p 0.0001
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/dports/science/lammps/lammps-stable_29Sep2021/tools/i-pi/examples/lammps/h2o-piglet.2/ |
H A D | in.water | 9 #kspace_style pppm 0.0001 10 kspace_style pppm/tip4p 0.0001
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/dports/science/lammps/lammps-stable_29Sep2021/tools/i-pi/examples/lammps/h2o-piglet.4/ |
H A D | in.water | 9 #kspace_style pppm 0.0001 10 kspace_style pppm/tip4p 0.0001
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/dports/science/lammps/lammps-stable_29Sep2021/tools/i-pi/examples/lammps/h2o-piglet.8/ |
H A D | in.water | 9 #kspace_style pppm 0.0001 10 kspace_style pppm/tip4p 0.0001
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/dports/science/lammps/lammps-stable_29Sep2021/tools/i-pi/examples/lammps/h2o-pimd-rpc/ |
H A D | in.water_longrange | 9 #kspace_style pppm 0.0001 10 kspace_style pppm/tip4p 0.0001
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H A D | in.water_shortrange | 9 #kspace_style pppm 0.0001 10 #kspace_style pppm/tip4p 0.0001
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/dports/science/lammps/lammps-stable_29Sep2021/unittest/force-styles/ |
H A D | test_config.h | 46 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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