diff --git a/doc/read_data.html b/doc/read_data.html index af3d2c5700..882e5ed1c5 100644 --- a/doc/read_data.html +++ b/doc/read_data.html @@ -293,6 +293,7 @@ of analysis.
The units for these quantities depend on the unit style; see the units command for details. diff --git a/doc/read_data.txt b/doc/read_data.txt index 52af541f96..be693515c2 100644 --- a/doc/read_data.txt +++ b/doc/read_data.txt @@ -273,6 +273,7 @@ full: atom-ID molecule-ID atom-type q x y z molecular: atom-ID molecule-ID atom-type x y z peri: atom-ID atom-type volume density x y z sphere: atom-ID atom-type diameter density x y z +wavepacket: atom-ID atom-type charge spin eradius etag cs_re cs_im x y z hybrid: atom-ID atom-type x y z sub-style1 sub-style2 ... :tb(s=:) The keywords have these meanings: @@ -288,7 +289,9 @@ volume = volume of atom (distance^3 units) x,y,z = coordinates of atom mux,muy,muz = components of dipole moment of atom (dipole units) spin = electron spin (+1/-1), 0 = nuclei, 2 = fixed-core, 3 = pseudo-cores (i.e. ECP) -eradius = electron radius (or fixed-core radius) :ul +eradius = electron radius (or fixed-core radius) +etag = integer ID of electron that each wavepacket belongs to +cs_re,cs_im = real/imaginary parts of wavepacket coefficients :ul The units for these quantities depend on the unit style; see the "units"_units.html command for details.