Jmol Code

Jmol.___JmolVersion="14.3.7_2014.09.22"

FEATURE CHANGE: atoms without vibration will no longer report out as vxyz = {0 0 0} or vx = 0
-- print {atomno=3}.vxyz and {*}.vxyz.all will report -1
instead of {vx vy vz} when atom does not have a vibration
-- print {atomno=3}.vx will report "NaN" (also vy and vz)
-- label %[vxyz] will be blank
-- label %[vx] will be blank (also vy and vz)
-- select vxyz >= 0 will select for atoms with vibrations of any magnitude
-- select vxyz < 0 will select for atoms without vibrations of any magnitude
-- select vx = 0 will NOT select atoms with no vibration vector
-- select vx != 0 will NOT select atoms with no vibration vector
-- select vx = 0 || vx != 0 will select for atoms with vibrations of any magnitude
-- same with modulations and modxyz, modx, mody, modz

Jmol.___JmolVersion="14.3.7_2014.09.22"

FEATURE CHANGE: atoms without vibration will no longer report out as vxyz = {0 0 0} or vx = 0
-- print {atomno=3}.vxyz and {*}.vxyz.all will report "NaN"
instead of {vx vy vz} when atom does not have a vibration
-- print {atomno=3}.vx will report "NaN" (also vy and vz)
-- label %[vxyz] will be blank
-- label %[vx] will be blank (also vy and vz)
-- select vxyz >= 0 will select for atoms with vibrations of any magnitude
-- select vxyz < 0 will select for atoms without vibrations of any magnitude
-- select vx = 0 will NOT select atoms with no vibration vector
-- select vx != 0 will NOT select atoms with no vibration vector
-- select vx = 0 || vx != 0 will select for atoms with vibrations of any magnitude
-- same with modulations and modxyz, modx, mody, modz

JmolVersion="14.3.7_2014.09.20b"

bug fix: array sorting broken in JavaScript

Jmol.___JmolVersion="14.3.7_2014.09.22"

FEATURE CHANGE: atoms without vibration will not report out as vxyz = {0 0 0}
-- print {atomno=3}.vxyz and {*}.vxyz.all will report "-1"
instead of {vx vy vz} when atom does not have a vibration
-- print {atomno=3}.vx will report "NaN"
-- label %[vx] will be blank
-- select vxyz >= 0 will select for atoms with vibrations of any magnitude
-- select vxyz < 0 will select for atoms without vibrations of any magnitude
-- select vx = 0 will NOT select atoms with no vibration vector
-- select vx != 0 will NOT select atoms with no vibration vector
-- select vx = 0 || vx != 0 will select for atoms with vibrations of any magnitude
-- same with modulations and modxyz, modx, mody, modz

Jmol.___JmolVersion="14.3.7_2014.09.22"

new feature: select vxyz >= 0
-- selects for atoms with vibrations of any magnitude
-- also modxyz

new feature: select vxyz < 0
-- selects for atoms without vibrations of any magnitude
-- also modxyz

Jmol.___JmolVersion="14.3.7_2014.09.21"

bug fix: magCIF reading with symmetry scaling (-x+1/2,-2x+y,z+1/2,+1 mx,2mx-my,-mz)
improperly rotates moments

Translations

Jmol.___JmolVersion="14.3.7_2014.09.20"

code: magCIF change to _space_group_symop.magn_ssg_centering_algebraic
code: efficiencies in storage of CIF keys