| /dports/science/lammps/lammps-stable_29Sep2021/doc/src/ |
| H A D | compute_erotate_asphere.rst | 29 :doc:`atom_style <atom_style>` and :doc:`read_data <read_data>` commands
59 :doc:`atom_style ellipsoid <atom_style>` command.
62 and orientation and angular velocity as defined by the :doc:`atom_style line <atom_style>` command.
66 the :doc:`atom_style tri <atom_style>` command.
|
| H A D | set.rst | 292 :doc:`atom_style <atom_style>` command. Note that particles defined by
293 :doc:`atom_style ellipsoid <atom_style>` have 3 shape parameters. The 3
309 the :doc:`atom_style <atom_style>` command. Random numbers are used in
345 triangles as defined by the :doc:`atom_style tri <atom_style>` command.
370 :doc:`atom_style tri <atom_style>` command. The angular momentum
380 :doc:`atom_style <atom_style>` command. See the "mass" command for
385 mass attribute, as defined by the :doc:`atom_style <atom_style>`
406 :doc:`atom_style tri <atom_style>`) and its area is non-zero, then its
481 Currently, only :doc:`atom_style edpd <atom_style>` defines particles
487 :doc:`atom_style tdpd <atom_style>` defines particles with this
[all …]
|
| H A D | Modify_atom.rst | 4 Classes that define an :doc:`atom style <atom_style>` are derived from
15 Note that the :doc:`atom style hybrid <atom_style>` command can be
29 in tandem with others via the :doc:`atom_style hybrid <atom_style>`
74 style together in a :doc:`atom_style hybrid <atom_style>` command.
126 their particles, such as :doc:`atom_style ellipsoid or tri
127 <atom_style>`. These methods work with that data:
143 The :doc:`atom_style body <atom_style>` command can define a particle
151 operations on the per-atom values. For example :doc:`atom_style
152 sphere <atom_style>` reads a diameter and density of each particle
|
| H A D | fix_brownian.rst | 88 :doc:`atom_style dipole <atom_style>` and :doc:`atom_style sphere
89 <atom_style>`.
181 as defined by the :doc:`atom_style sphere <atom_style>` command.
183 as defined by the :doc:`atom_style ellipsoid <atom_style>` command.
185 as defined by the :doc:`atom_style dipole <atom_style>` command.
|
| H A D | fix_nve_sphere.rst | 54 e.g. spheroids via use of the :doc:`atom_style hybrid sphere dipole <atom_style>` command.
88 and a radius as defined by the :doc:`atom_style sphere <atom_style>`
90 dipole moment as defined by the :doc:`atom_style dipole <atom_style>`
|
| H A D | atom_style.rst | 1 .. index:: atom_style
3 atom_style command
11 atom_style style args
37 atom_style atomic
38 atom_style bond
39 atom_style full
40 atom_style body nparticle 2 10
41 atom_style hybrid charge bond
43 atom_style spin
44 atom_style template myMols
[all …]
|
| H A D | bond_oxdna.rst | 81 This bond style has to be used with the *atom_style hybrid bond ellipsoid oxdna*
82 (see documentation of :doc:`atom_style <atom_style>`). The *atom_style oxdna*
127 :doc:`bond_coeff <bond_coeff>`, :doc:`atom_style oxdna <atom_style>`, :doc:`fix nve/dotc/langevin <…
|
| H A D | pair_oxdna.rst | 96 These pair styles have to be used with the *atom_style hybrid bond ellipsoid oxdna*
97 (see documentation of :doc:`atom_style <atom_style>`). The *atom_style oxdna*
131 :doc:`atom_style oxdna <atom_style>`, :doc:`fix nve/dotc/langevin <fix_nve_dotc_langevin>`
|
| H A D | pair_oxdna2.rst | 105 These pair styles have to be used with the *atom_style hybrid bond ellipsoid oxdna*
106 (see documentation of :doc:`atom_style <atom_style>`). The *atom_style oxdna*
138 :doc:`atom_style oxdna <atom_style>`, :doc:`fix nve/dotc/langevin <fix_nve_dotc_langevin>`
|
| H A D | pair_spin_magelec.rst | 63 atom_style "spin" was declared. See the :doc:`Build package <Build_package>` page for more info.
68 :doc:`atom_style spin <atom_style>`, :doc:`pair_coeff <pair_coeff>`,
|
| /dports/science/py-moltemplate/moltemplate-2.19.14/moltemplate/ |
| H A D | lttree_styles.py | 128 atom_style = atom_style_args[0]
131 if (atom_style not in g_style_map):
138 'Error: Unrecognized atom_style: \"' + atom_style + '\"\n')
140 if (atom_style != 'hybrid'):
141 return g_style_map[atom_style]
|
| H A D | nbody_by_type.py | 185 atom_style, argument
193 column_names = AtomStyle2ColNames(atom_style)
298 atom_style, argument
390 atom_style,
413 atom_style = 'full'
489 atom_style = argv[i + 1]
609 atom_style,
|
| H A D | bonds_by_type.py | 46 atom_style, argument
77 column_names = AtomStyle2ColNames(atom_style)
239 atom_style = 'full'
301 atom_style = argv[i + 1]
356 atom_style,
|
| H A D | charge_by_bond.py | 36 atom_style, argument
63 column_names = AtomStyle2ColNames(atom_style)
262 atom_style = 'full'
330 atom_style = argv[i + 1]
384 atom_style,
|
| /dports/science/lammps/lammps-stable_29Sep2021/unittest/force-styles/tests/ |
| H A D | in.colloid | 1 variable atom_style index atomic
9 atom_style ${atom_style}
|
| /dports/science/py-ase/ase-3.22.0/ase/calculators/kim/ |
| H A D | calculators.py | 32 def get_params(model_name, supported_units, supported_species, atom_style): argument
43 if atom_style:
44 parameters["atom_style"] = atom_style
84 atom_style = kwargs.get("atom_style", None)
91 parameters = get_params(model_name, supported_units, supported_species, atom_style)
|
| H A D | kim.py | 184 atom_style=sm.atom_style,
|
| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/lammps/ |
| H A D | data.py | 255 atom_style="full", argument
299 self.atom_style = atom_style
767 items["atom_style"] = atom_style
791 items = dict(box=box, atom_style=atom_style, masses=ff.masses, force_field=ff.force_field)
881 return cls.from_ff_and_topologies(box=box, ff=ff, topologies=[topo], atom_style=atom_style)
1227 atom_style="full", argument
1251 self.atom_style = atom_style
1443 styles.append(mol.atom_style)
1447 if atom_style:
1503 items["atom_style"] = self.atom_style
[all …]
|
| /dports/science/lammps/lammps-stable_29Sep2021/examples/python/ |
| H A D | in.pair_python_melt | 4 atom_style atomic
43 atom_style atomic
|
| H A D | in.pair_python_hybrid | 4 atom_style atomic
47 atom_style atomic
|
| /dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/meam_sw_spline/Si/ |
| H A D | energy_conservation.meam.sw.in | 8 atom_style atomic
11 atom_style atomic
|
| /dports/science/lammps/lammps-stable_29Sep2021/examples/latte/ |
| H A D | in.latte.multiple | 2 atom_style full
37 atom_style full
|
| /dports/science/lammps/lammps-stable_29Sep2021/examples/SPIN/test_problems/validation_damped_precession/ |
| H A D | test-spin-precession.in | 4 atom_style spin
5 # atom_style spin/kk
|
| /dports/science/lammps/lammps-stable_29Sep2021/examples/SPIN/test_problems/validation_damped_exchange/ |
| H A D | test-spin-precession.in | 4 atom_style spin
5 # atom_style spin/kk
|
| /dports/science/lammps/lammps-stable_29Sep2021/examples/SPIN/test_problems/validation_langevin_precession/ |
| H A D | test-prec-spin.template | 4 atom_style spin
5 # atom_style spin/kk
|