diff --git a/doc/pair_zbl.html b/doc/pair_zbl.html index 34635cb89c..26a583b33f 100644 --- a/doc/pair_zbl.html +++ b/doc/pair_zbl.html @@ -37,23 +37,19 @@ energy due to a pair of atoms at a distance r_ij is given by:

-

where e is the electron -charge, epsilon_0 is the electrical permittivity of vacuum, and -Z_i and Z_j are the nuclear charges of the two atoms in electron -charge units. -The switching -function S(r) is identical to that used by -pair_style lj/gromacs. -Here, the inner and outer cutoff are the same -for all pairs of atom types. +

where e is the electron charge, epsilon_0 is the electrical +permittivity of vacuum, and Z_i and Z_j are the nuclear charges of the +two atoms. The switching function S(r) is identical to that used by +pair_style lj/gromacs. Here, the inner and outer +cutoff are the same for all pairs of atom types.

The following coefficient must be defined for each pair of atom types via the pair_coeff command as in the examples above, -or in the LAMMPS data file. -Z can not be specified for two different atoms types. -Therefore the lists of atom types I and atom types J must match. +or in the LAMMPS data file. Z can not be specified for two different +atoms types. Therefore the lists of atom types I and atom types J +must match.

- @@ -157,7 +157,7 @@ by the number of atoms, i.e. energy/atom. This can be changed via the
  • temperature = Kelvin
  • pressure = picogram/(micrometer-microsecond^2)
  • dynamic viscosity = picogram/(micrometer-microsecond) -
  • charge = picocoulombs +
  • charge = picocoulombs (1.6021765e-7 is a proton)
  • dipole = picocoulomb-micrometer
  • electric field = volt/micrometer
  • density = picograms/micrometer^dim @@ -174,7 +174,7 @@ by the number of atoms, i.e. energy/atom. This can be changed via the
  • temperature = Kelvin
  • pressure = attogram/(nanometer-nanosecond^2)
  • dynamic viscosity = attogram/(nanometer-nanosecond) -
  • charge = multiple of electron charge (+1.0 is a proton) +
  • charge = multiple of electron charge (1.0 is a proton)
  • dipole = charge-nanometer
  • electric field = volt/nanometer
  • density = attograms/nanometer^dim diff --git a/doc/units.txt b/doc/units.txt index faf498d226..199d66ea26 100644 --- a/doc/units.txt +++ b/doc/units.txt @@ -72,7 +72,7 @@ torque = Kcal/mole temperature = Kelvin pressure = atmospheres dynamic viscosity = Poise -charge = multiple of electron charge (+1.0 is a proton) +charge = multiple of electron charge (1.0 is a proton) dipole = charge*Angstroms electric field = volts/Angstrom density = gram/cm^dim :ul @@ -89,7 +89,7 @@ torque = eV temperature = Kelvin pressure = bars dynamic viscosity = Poise -charge = multiple of electron charge (+1.0 is a proton) +charge = multiple of electron charge (1.0 is a proton) dipole = charge*Angstroms electric field = volts/Angstrom density = gram/cm^dim :ul @@ -106,7 +106,7 @@ torque = Newton-meters temperature = Kelvin pressure = Pascals dynamic viscosity = Pascal*second -charge = Coulombs +charge = Coulombs (1.6021765e-19 is a proton) dipole = Coulombs*meters electric field = volts/meter density = kilograms/meter^dim :ul @@ -123,7 +123,7 @@ torque = dyne-centimeters temperature = Kelvin pressure = dyne/cm^2 or barye = 1.0e-6 bars dynamic viscosity = Poise -charge = statcoulombs or esu +charge = statcoulombs or esu (4.8032044e-10 is a proton) dipole = statcoul-cm = 10^18 debye electric field = statvolt/cm or dyne/esu density = grams/cm^dim :ul @@ -138,7 +138,7 @@ velocity = Bohr/atomic time units \[1.03275e-15 seconds\] force = Hartrees/Bohr temperature = Kelvin pressure = Pascals -charge = multiple of electron charge (+1.0 is a proton) +charge = multiple of electron charge (1.0 is a proton) dipole moment = Debye electric field = volts/cm :ul @@ -154,7 +154,7 @@ torque = picogram-micrometer^2/microsecond^2 temperature = Kelvin pressure = picogram/(micrometer-microsecond^2) dynamic viscosity = picogram/(micrometer-microsecond) -charge = picocoulombs +charge = picocoulombs (1.6021765e-7 is a proton) dipole = picocoulomb-micrometer electric field = volt/micrometer density = picograms/micrometer^dim :ul @@ -171,7 +171,7 @@ torque = attogram-nanometer^2/nanosecond^2 temperature = Kelvin pressure = attogram/(nanometer-nanosecond^2) dynamic viscosity = attogram/(nanometer-nanosecond) -charge = multiple of electron charge (+1.0 is a proton) +charge = multiple of electron charge (1.0 is a proton) dipole = charge-nanometer electric field = volt/nanometer density = attograms/nanometer^dim :ul