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/dports/science/lammps/lammps-stable_29Sep2021/examples/KAPPA/
H A Dlog.13Oct16.langevin.g++.83 # thermostatting 2 regions via fix langevin
121 fix hot all langevin ${thi} ${thi} 1.0 59804 tally yes
122 fix hot all langevin 1.7 ${thi} 1.0 59804 tally yes
123 fix hot all langevin 1.7 1.7 1.0 59804 tally yes
125 fix cold all langevin 1 ${tlo} 1.0 287859 tally yes
126 fix cold all langevin 1 1 1.0 287859 tally yes
175 # reset langevin thermostats to zero energy accumulation
181 fix hot all langevin 1.7 ${thi} 1.0 59804 tally yes
182 fix hot all langevin 1.7 1.7 1.0 59804 tally yes
184 fix cold all langevin 1 ${tlo} 1.0 287859 tally yes
[all …]
H A Din.langevin2 # thermostatting 2 regions via fix langevin
61 fix hot all langevin ${thi} ${thi} 1.0 59804 tally yes
62 fix cold all langevin ${tlo} ${tlo} 1.0 287859 tally yes
72 # reset langevin thermostats to zero energy accumulation
77 fix hot all langevin ${thi} ${thi} 1.0 59804 tally yes
78 fix cold all langevin ${tlo} ${tlo} 1.0 287859 tally yes
86 fix 2 all ave/chunk 10 100 1000 layers v_temp file profile.langevin
/dports/science/lammps/lammps-stable_29Sep2021/doc/src/
H A Dfix_langevin_spin.rst1 .. index:: fix langevin/spin
3 fix langevin/spin command
11 fix ID group-ID langevin/spin T Tdamp seed
14 * langevin/spin = style name of this fix command
24 fix 2 all langevin/spin 300.0 0.01 21
59 fix 2 all langevin/spin 300.0 0.01 21
62 is correct, but defining a force/spin command after the langevin/spin command
87 The *langevin/spin* fix is part of the SPIN package. This style is
91 when *fix langevin/spin* is enabled.
H A Dfix_langevin_eff.rst1 .. index:: fix langevin/eff
3 fix langevin/eff command
11 fix ID group-ID langevin/eff Tstart Tstop damp seed keyword values ...
14 * langevin/eff = style name of this fix command
41 fix 3 boundary langevin/eff 1.0 1.0 10.0 699483
42 fix 1 all langevin/eff 1.0 1.1 10.0 48279 scale 3 1.5
64 :doc:`fix langevin <fix_langevin>` command, except that the
113 :doc:`fix langevin <fix_langevin>`
H A Dfix_nve_dotc_langevin.rst1 .. index:: fix nve/dotc/langevin
3 fix nve/dotc/langevin command
11 fix ID group-ID nve/dotc/langevin Tstart Tstop damp seed keyword value
14 * nve/dotc/langevin = style name of this fix command
30 fix 1 all nve/dotc/langevin 1.0 1.0 0.03 457145 angmom 10
31 fix 1 all nve/dotc/langevin 0.1 0.1 78.9375 457145 angmom 10
47 :doc:`fix langevin <fix_langevin>` and its *angmom* option. But it combines
48 the :doc:`fix nve <fix_nve>` and the :doc:`fix langevin <fix_langevin>` in
54 Unlike the :doc:`fix langevin <fix_langevin>` this command performs
139 :doc:`fix nve <fix_nve>`, :doc:`fix langevin <fix_langevin>`, :doc:`fix nve/dot <fix_nve_dot>`, :do…
H A Dfix_nve_dot.rst32 This command is the equivalent of the :doc:`fix nve/dotc/langevin <fix_nve_dotc_langevin>`
35 (see also :doc:`fix nve/dotc/langevin <fix_nve_dotc_langevin>`).
55 :doc:`fix nve/dotc/langevin <fix_nve_dotc_langevin>`, :doc:`fix nve <fix_nve>`
H A Dfix_langevin_drude.rst1 .. index:: fix langevin/drude
3 fix langevin/drude command
11 …fix ID group-ID langevin/drude Tcom damp_com seed_com Tdrude damp_drude seed_drude keyword values …
14 * langevin/drude = style name of this fix command
35 fix 3 all langevin/drude 300.0 100.0 19377 1.0 20.0 83451
36 fix 1 all langevin/drude 298.15 100.0 19377 5.0 10.0 83451 zero yes
117 Like the :doc:`fix langevin <fix_langevin>` command, this fix does
228 fix TEMP all langevin/drude 300. 100. 1256 1. 20. 13977 zero yes
242 * Temperature is controlled by the fix *langevin/drude*, so the
285 :doc:`fix langevin <fix_langevin>`,
/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/phonon/1-1D-mono/
H A Dlog.lammps47 fix 1 all langevin $t $t $d $r
48 fix 1 all langevin 0.0050000000000000001041 $t $d $r
49 fix 1 all langevin 0.0050000000000000001041 0.0050000000000000001041 $d $r
50 fix 1 all langevin 0.0050000000000000001041 0.0050000000000000001041 0.5 $r
51 fix 1 all langevin 0.0050000000000000001041 0.0050000000000000001041 0.5 571101
/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/phonon/2-1D-diatomic/
H A Dlog.lammps44 fix 1 all langevin $t $t $d $r
45 fix 1 all langevin 0.0050000000000000001041 $t $d $r
46 fix 1 all langevin 0.0050000000000000001041 0.0050000000000000001041 $d $r
47 fix 1 all langevin 0.0050000000000000001041 0.0050000000000000001041 0.5 $r
48 fix 1 all langevin 0.0050000000000000001041 0.0050000000000000001041 0.5 571101
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gpw-3/
H A DTEST_FILES_RESET89 H2O-langevin-1.inp
91 H2O-langevin-2.inp
204 H2O-langevin-1.inp
206 H2O-langevin-2.inp
226 H2O-langevin-1.inp
228 H2O-langevin-2.inp
238 H2O-langevin-1.inp
240 H2O-langevin-2.inp
258 H2O-langevin-1.inp
260 H2O-langevin-2.inp
[all …]
/dports/biology/protomol/protomol/examples/alanine_dipeptide_water_184x/
H A Dalanine.7ns.namd64 langevin on ;# do langevin dynamics
67 langevinHydrogen off ;# don't couple langevin bath to hydrogens
H A Dalanine.namd64 langevin on ;# do langevin dynamics
67 langevinHydrogen on ;# don't couple langevin bath to hydrogens
/dports/science/lammps/lammps-stable_29Sep2021/examples/rigid/
H A Din.rigid.tnr42 fix 3 all langevin 1.4 1.4 1.0 437624
46 # Replace fix rigid and fix langevin with new ones
51 fix 3 tethers langevin 1.4 1.4 1.0 198450
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gpw-1/
H A DTEST_FILES_RESET13 H2O-langevin-2.inp
32 H2O-langevin-1.inp
33 H2O-langevin-2.inp
37 H2O-langevin-1.inp
38 H2O-langevin-2.inp
40 H2O-langevin-2.inp
57 H2O-langevin-1.inp
58 H2O-langevin-2.inp
/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/rhok/
H A Din.setup31 fix langevin left langevin 3.0 0.8 100.0 2017
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/
H A Dvelocity_verlet_control.F20 isokin, langevin, nph_uniaxial, nph_uniaxial_damped, npt_f, npt_i, nve, nve_respa, nvt, &
92 CALL langevin(md_env)
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/
H A Dvelocity_verlet_control.F20 isokin, langevin, nph_uniaxial, nph_uniaxial_damped, npt_f, npt_i, nve, nve_respa, nvt, &
92 CALL langevin(md_env)
/dports/science/lammps/lammps-stable_29Sep2021/examples/SPIN/test_problems/validation_nvt/
H A Din.spin.nvt_lattice34 fix 2 all langevin 200.0 200.0 0.1 48279
35 fix 3 all langevin/spin 0.0 0.0 321
H A Din.spin.nvt_spin35 fix 2 all langevin 0.0 0.0 0.0 48279
36 fix 3 all langevin/spin 200.0 0.01 321
/dports/science/lammps/lammps-stable_29Sep2021/examples/VISCOSITY/
H A Dlog.13Oct16.wall.2d.g++.13 # use shearing wall, thermostat via fix langevin
69 fix 2 flow langevin $t $t 0.1 498094
70 fix 2 flow langevin 1 $t 0.1 498094
71 fix 2 flow langevin 1 1 0.1 498094
/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/charge_regulation/
H A Dlog.11Apr21.chreg-acid-real.g++.154 fix fT all langevin $(v_temperature) $(v_temperature) $(v_tunit) 123
55 fix fT all langevin 298 $(v_temperature) $(v_tunit) 123
56 fix fT all langevin 298 298 $(v_tunit) 123
57 fix fT all langevin 298 298 2000 123
H A Dlog.11Apr21.chreg-acid-real.g++.454 fix fT all langevin $(v_temperature) $(v_temperature) $(v_tunit) 123
55 fix fT all langevin 298 $(v_temperature) $(v_tunit) 123
56 fix fT all langevin 298 298 $(v_tunit) 123
57 fix fT all langevin 298 298 2000 123
/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp-tutorials/xtp-tutorials-8576616/LAMMPS/Thiophene/MD_FILES/MD_Input/
H A Dmolecule_in_vacuum.in37 # fix fxLAN all langevin 300.0 300.0 5000 48279
38 # fix fxNVE all nve #(<--needed by fix langevin)
/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp-tutorials/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/
H A Dmolecule_in_vacuum.in37 # fix fxLAN all langevin 300.0 300.0 5000 48279
38 # fix fxNVE all nve #(<--needed by fix langevin)
/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp-tutorials/xtp-tutorials-8576616/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/
H A Dmolecule_in_vacuum.in37 # fix fxLAN all langevin 300.0 300.0 5000 48279
38 # fix fxNVE all nve #(<--needed by fix langevin)

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