atomic_weight
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| + | ====== Macro to generate Atomic Weight from Atomic Symbol===== | ||
| + | |||
| + | The macro in this page returns Atomic Weight based on Atomic Symbol. | ||
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| + | Below atomic weight data were copied from the " | ||
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| + | The atomic weight of some heavy atoms after No.109 are from [[www.periodictable.one]] | ||
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| + | This macro has been tested working in v6 and v7. | ||
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| + | |||
| + | ==== The macro ==== | ||
| + | === Atomic_Number === | ||
| + | |||
| + | <code topas> | ||
| + | macro AW {Atomic_Weight} | ||
| + | macro Atomic_Weight(Atom) { | ||
| + | #if | ||
| + | (Atom == " | ||
| + | (Atom == " | ||
| + | (Atom == " | ||
| + | (Atom == " | ||
| + | (Atom == " | ||
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| + | } | ||
| + | </ | ||
| + | |||
| + | |||
| + | |||
| + | ==== Application Example: Generating Molecular Weight, and " | ||
| + | This macro has been useful to me for checking " | ||
| + | |||
| + | <code topas> | ||
| + | RAW(corundum) | ||
| + | |||
| + | | ||
| + | | ||
| + | | ||
| + | | ||
| + | | ||
| + | | ||
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| + | | ||
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| + | ZE(@, 0.0) | ||
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| + | | ||
| + | | ||
| + | |||
| + | | ||
| + | phase_name " | ||
| + | Trigonal(@ 4.7592, @ 12.992) | ||
| + | site Al x | ||
| + | site O x @ 0.3064 | ||
| + | scale @ 0.0001 | ||
| + | CS_L(@, 100) | ||
| + | Strain_L(@, 0.0100) | ||
| + | view_structure | ||
| + | r_bragg 0 | ||
| + | local mol_wgt = 2 * AW(" | ||
| + | local cell_Z = Round(Get(cell_mass)/ | ||
| + | </ | ||
| + | |||
| + | If any user in our open TOPAS community has suggestion or idea, or bug report on these macros, please kindly let me know and I am happy to learn from you: [[tony.wang@qut.edu.au]] | ||
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