User contributions for Dci24
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26 March 2019
- 14:1514:15, 26 March 2019 diff hist +844 QCMagic →Step 6: rungeneralisedTransformQCMinima.py
- 13:3513:35, 26 March 2019 diff hist +2,397 QCMagic →Symmetry Tools
- 13:3113:31, 26 March 2019 diff hist −214 QCMagic →Step 5: rearrangesol.py
- 13:2913:29, 26 March 2019 diff hist −14 QCMagic →Symmetry Tools
- 13:2713:27, 26 March 2019 diff hist +4 QCMagic →Step 4: runqcSDExtract.py
- 13:2713:27, 26 March 2019 diff hist +8 QCMagic →Step 4: runqcSDExtract.py
- 13:2213:22, 26 March 2019 diff hist +27 QCMagic →Step 3: Mapping the "Old min" to the "New sol"
- 13:2113:21, 26 March 2019 diff hist +124 QCMagic →Step 3: Mapping the "Old min" to the "New sol"
- 13:1813:18, 26 March 2019 diff hist +3 QCMagic →Step 3: Mapping the "Old min" to the "New sol"
- 13:1713:17, 26 March 2019 diff hist −1 QCMagic →Step 1: metadynamics
- 13:1613:16, 26 March 2019 diff hist +2 QCMagic →Step 1: metadynamics
- 13:1413:14, 26 March 2019 diff hist +61 QCMagic →Step 2: runscanSurface.py
- 13:1113:11, 26 March 2019 diff hist +2 QCMagic →Step 2: runscanSurface.py
- 13:0613:06, 26 March 2019 diff hist −4 QCMagic →Step 1: metadynamics
- 13:0513:05, 26 March 2019 diff hist −8 QCMagic →Step 1: metadynamics
- 13:0413:04, 26 March 2019 diff hist +6 QCMagic →Step 2: runscanSurface.py
- 13:0313:03, 26 March 2019 diff hist +12 QCMagic →Step 2: runscanSurface.py
- 13:0213:02, 26 March 2019 diff hist +1 QCMagic →Step 2: runscanSurface.py
- 13:0013:00, 26 March 2019 diff hist +4 QCMagic →Step 1: metadynamics
- 13:0013:00, 26 March 2019 diff hist +12 QCMagic →Step 1: metadynamics
- 12:5912:59, 26 March 2019 diff hist −2 QCMagic →Step 1: metadynamics
- 12:5812:58, 26 March 2019 diff hist +3 QCMagic →Step 1: metadynamics
- 12:5512:55, 26 March 2019 diff hist +8,480 QCMagic →Symmetry Tools
- 10:4110:41, 26 March 2019 diff hist +26 QCMagic The symmetry tools are series of useful commands that could be use to carry out symmetry related operations on molecules with symmetry elements other than the identity.