[go: up one dir, main page]
Menu ▾ ▴

Code Commit Log


Commit Date  
[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
[r18430] by hansonr
2013-07-04 21:54:56 Tree
[r18429] by hansonr
2013-07-04 21:54:37 Tree
[r18428] by hansonr

___JmolVersion="13.1.19_dev_2013.07.04"

new feature: {*}.ms, {*}.cs %[ms] %[cs] magnetic shielding and chemical shift
new feature: label <color red>xxx</color>
new feature: set shift_H_hz xxx, set shift_H_PPM_400 xxx
new feature: getProperty("nmrInfo")

 2013-07-04 21:21:15 Tree
[r18427] by hansonr
2013-07-04 20:59:37 Tree
[r18426] by hansonr

renamed reader MagresReader;
refactored tensor code into NMRCalculation; adding cs/ms options. Very preliminary

 2013-07-04 20:54:24 Tree
Older >