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JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information.
controls high-temperature single-crystal XRD experiments using IPDSII
htcontrol is a software to control high-temperature single crystal XRD experiments on a STOE IPDS II or 2T diffractometer platform. A Manson SDP2210 power unit is needed as well as the ICP DAS I7019 data acquisition interface (amount of investment approx. 600 EUR).
htcontrol is written in Perl and runs on a cygwin platform to be installed on the WinXP/10 host. Data collections are performed with Stoe's WinXpose (>=1.7.3) via the non-interactive XML interface.
For details see: J. Appl....
...This way a complete analysis can be carried inside Salome, where a mesh file can be created, exported and read by YAFEMS with the help of a .yaf input file and post-processed within Salome using ParaView.
New in v0.4
- More performance boost due to the implementation of the Cuthill-McKee algorithm.
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