“Automatic and semi-automatic assignment and fitting of spectra : Paper describing updated automatic fitting and Nearest Lines Plots available on-line: Thanks to Susanna Stephens for a discussion prompting this change. Terms including perturbations may also trigger this requirement. The requirement is triggered byĮxotic terms in the Hamiltonian, χ ab, χ acĪnd χ bc in the case of iodine, and other uncommon The default isĬurrently false (which is faster), but the next version willĬhange this to true as it has become clear that it is too easy to Hyperfine structure, such as found with iodine. Setting this to true is required for some cases involving large
For almost all types of spectra it makes no difference but Structure, check the setting of the AllowComplexįlag. Simulating microwave spectra: if you have quadrupole
CHEMISTRY PROGRAMS FOR MAC 64 BIT
A 64 bit Mac beta version is available from the Work is required for this to work with PGOPHER. Apple no longer supports 32 bit programs, but the required underlyingĦ4 bit library required has only recently become available in a useable state, and some development : Upgrading to MACOS 10.15 (Catalina) is not recommended as this is not yetįully supported by PGOPHER. Of this version has improved significantly since Oct 2019. : MAC versions Running on 10.15 (Catalina) requires theĭevelopment Version, specifically pgopher-MacOSX-x86_. Running on M1 machines currently uses Rosetta, but it may be possible to produce a native version shortly.
: MAC versions Initial testing on Big Sur (version 11) suggests PGOPHER runs on both Intel and M1 Macs using the Cocoaĭevelopment Version, specifically pgopher-MacOSX-x86_.
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