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dgasmith
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dgasmith
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I think something like this is a good idea; however, there should be much more documentation for folks to really get a handle on what it is doing.
In addition, you have deleted our submodules from the Examples folder. Please undo this.
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| <?xml version="1.0" encoding="UTF-8"?> | |||
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Please delete this file.
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| package org.jmol.adapter.readers.quantum; | |||
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Can we simply put this in a Coding/Java/... folder. The additional nesting too much I would think.
| /** | ||
| * Read basis and orbital information. | ||
| * | ||
| * @param molecular_orbitals |
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Can we provide much more information of what the molecular_orbitals object entails?
| + Viewer.getJmolVersion().replace(' ', '_'); | ||
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| // | ||
| // source: http://cccbdb.nist.gov/hartree.asp |
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This is quite limiting in terms of accuracy. Please see here for better precision:
https://physics.nist.gov/cuu/Constants/
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Description
Adds a place for C++ or Java code development; adds Jmol's QC-JSON reader and writer; adds a generally-useful Java class for working with QC-Schema units and unit conversion.
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