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Code Commit Log


Commit Date  
[r18440] by hansonr
2013-07-07 06:18:59 Tree
[r18439] by hansonr
2013-07-07 06:06:12 Tree
[r18438] by hansonr
2013-07-07 05:59:27 Tree
[r18437] by hansonr
2013-07-07 05:59:01 Tree
[r18436] by hansonr

___JmolVersion="13.1.19_dev_2013.07.05"

code: org.jmol.quantum.NMRCalculation smoothly handles J-coupling and dipolar coupling constant display.

new feature: unitcell center {atomset}
new feature: unitcell center {fx fy fz}
new feature: {*}.ms, {*}.cs %[ms] %[cs] magnetic shielding and chemical shift
new feature: label <color red>xxx</color>
new feature: set shift_H xxx (ppm)
new feature: getProperty("nmrInfo")

 2013-07-05 23:08:08 Tree
[r18435] by hansonr
2013-07-05 17:26:35 Tree
[r18434] by hansonr

___JmolVersion="13.1.19_dev_2013.07.05"

new feature: unitcell center {atomset}
new feature: unitcell center {fx fy fz}

 2013-07-05 17:00:01 Tree
[r18433] by hansonr

unitcell center {atomset}
unitcell center {x y z} // assumed fractional

 2013-07-05 16:59:05 Tree
[r18432] by hansonr
2013-07-05 14:18:59 Tree
[r18431] by hansonr

adds nmr_data.txt to JAR files

 2013-07-05 12:36:35 Tree
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