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/dports/science/lammps/lammps-stable_29Sep2021/doc/src/
H A Datc_add_species.rst1 .. index:: fix_modify AtC add_species
3 fix_modify AtC add_species command
11 fix_modify <AtC fixID> add_species <tag> <group|type> <ID>
14 * add_species = name of the AtC sub-command
24 fix_modify AtC add_species gold type 1
26 fix_modify AtC add_species gold group GOLDGROUP
H A Datc_remove_species.rst38 - :doc:`fix_modify AtC add_species <atc_add_species>`
H A Datc_remove_molecule.rst38 - :doc:`fix_modify AtC add_species <atc_add_species>`
H A Datc_add_molecule.rst41 - :doc:`fix_modify AtC add_species <atc_add_species>`
/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/atc/fluids/
H A Din.concentration99 fix_modify ATC add_species N type 3
100 fix_modify ATC add_species P type 4
101 fix_modify ATC add_species Nt type 5
102 fix_modify ATC add_species Pt type 6
119 #fix_modify PP add_species ions type 3 4
120 #fix_modify PP add_species IONS type 3 4 1 2
121 fix_modify PP add_species n type 3
122 fix_modify PP add_species p type 4
123 fix_modify PP add_species s type 1
124 fix_modify PP add_species o type 2
H A Din.opp_force39 fix_modify ATC add_species N group NION
40 fix_modify ATC add_species P group PION
57 fix_modify ATC add_species NION type 2
58 fix_modify ATC add_species PION type 3
H A Dopp_force.screen57 fix_modify ATC add_species N group NION
58 fix_modify ATC add_species P group PION
78 fix_modify ATC add_species NION type 2
79 fix_modify ATC add_species PION type 3
H A Din.poisson25 fix_modify ATC add_species ion type 1 ### <<<<<
26 #fix_modify ATC add_species REAL group real
H A Dconcentration.screen163 fix_modify ATC add_species N type 3
164 fix_modify ATC add_species P type 4
165 fix_modify ATC add_species Nt type 5
166 fix_modify ATC add_species Pt type 6
H A Din.dielectric_interface45 fix_modify PP add_species IONS type 1 2 3 4
52 fix_modify ATC add_species P type 3
53 fix_modify ATC add_species N type 4
H A Din.conducting_interface44 fix_modify PP add_species IONS type 1 2 3 4
51 fix_modify ATC add_species P type 3
52 fix_modify ATC add_species N type 4
H A Din.double_layer81 fix_modify ATC add_species P group pos
82 fix_modify ATC add_species N group neg
H A Ddielectric_interface.screen76 fix_modify PP add_species IONS type 1 2 3 4
92 fix_modify ATC add_species P type 3
93 fix_modify ATC add_species N type 4
H A Dconducting_interface.screen74 fix_modify PP add_species IONS type 1 2 3 4
90 fix_modify ATC add_species P type 3
91 fix_modify ATC add_species N type 4
H A Ddouble_layer.screen127 fix_modify ATC add_species P group pos
128 fix_modify ATC add_species N group neg
H A Din.liquid_electrostatic50 fix_modify AtC add_species ALL group all
/dports/science/qbox/qbox-public-rel1_73_3/util/
H A Dqso.py34 def add_species(self,species): member in AtomSet
93 self.s.atoms.add_species(sp)
142 self.s.atoms.add_species(sp)
/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/atc/molecule/
H A Din.water87 fix_modify AtC add_species Hyd type 1
88 fix_modify AtC add_species Oxy type 2
/dports/science/sparta/sparta-20Oct2021/src/
H A Dmixture.h88 void add_species(int, char **);
H A Dparticle.h151 void add_species(int, char **);
/dports/devel/p5-Data-Stag/Data-Stag-0.14/scripts/
H A Dstag-join.pl67 $stag->add_species($val->data);
/dports/science/antioch/antioch-0.4.0-156-g90ffa43/src/transport/src/
H A Dtransport_mixture.C117 void TransportMixture<CoeffType>::add_species( const unsigned int index, in add_species() function
/dports/science/antioch/antioch-0.4.0-156-g90ffa43/src/transport/include/antioch/
H A Dtransport_mixture.h98 void add_species( const unsigned int index,
/dports/science/antioch/antioch-0.4.0-156-g90ffa43/src/parsing/src/
H A Dascii_parser.C230 chem_mixture.add_species( index, name, mol_wght, h_form, n_tr_dofs, charge ); in read_chemical_species()
433 transport.add_species(place,LJ_eps_kB,LJ_sigma,dipole_moment,pol,Zrot,mass); in read_transport_data_root()
/dports/biology/py-biopython/biopython-1.79/Bio/Pathway/
H A D__init__.py284 def add_species(self, species): member in Network

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