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Software News and Updates |
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CRYSPLOT is a publicly accessible web-based tool (http://crysplot.crystalsolutions.eu) to visualize physico-chemical properties of periodic systems (i.e. crystals, surfaces and polymers) as computed with the CRYSTAL code. It has been designed as a very intuitive graphical tool, a low entry-level interface, to all types of users, from beginners to experts, and purposes, from education to research. |
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SPECIAL OFFER for CRYSTAL09/06/03 USERS CRYSTAL09/06/03 Academic users that purchase the new release CRYSTAL17 within December 31, 2019 will be entitled to a 30% discount on the basic license. |
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Remember! CRYSTAL14 academic users are entitled of 50% discount!
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Crystal Solutions is a joint project between the Theroretical Chemistry Group of University of Turin and Aethia Srl for CRYSTAL distribution. |
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After the release of the new CRYSTAL17 version last September, the CRYSTAL Team is pleased to announce some news and improvements to make your CRYSTAL experience more exciting.
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CRYSTAL on the cover
The performance of the code in terms of parallel efficiency, speed-up and memory distribution of themassively parallel version of the CRYSTAL17program has recently been presented on a paper entitled “Large Scale Condensed Matter DFT Simulations: Performance and Capabilities of the CRYSTAL Code” [J. Chem. Theory Comput., 13, 5019-5027 (2017)].
The code is shown to run and scale efficiently up to 32,000 cores on HPC architectures for the study of systems containing up to 14,000 atoms per cell.
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CRYSPLOT is an online web-oriented tool to visualize computed properties of periodic systems totally free for CRYSTAL users.
It is targeted for plotting properties of crystalline solids computed with CRYSTAL code and in particular, one can represent band structure and density of states, among many others. It permits the modification and customization of plots to meet the standards required for scientific graphics.
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NEW TUTORIALS ONLINE!
Have a look at the restyled website of CRYSTAL online Tutorials with an enhanced readability, more content, and a fancier look!
Tutorials have been also updated to cover the new features of CRYSTAL17.
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HOW TO GET CRYSTAL17
Ordering, download, installation, advice about hardware and other activities related to the use and development of the code are available through the Crystal Solutionswebsite.
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Remember! CRYSTAL14 academic users are entitled of 50% discount!
we have just released a new version 3.5.2 of "Match!", our software for phase identification from powder diffraction data. The new version is a maintenance release, providing a variety of bug fixes. In addition, some minor improvements (like remembering the window position and size after restart) are also included.
Details about the new functions and bug fixes that have been implemented are available at
http://www.crystalimpact.com/news/20170922a.htm
Issues when updating from Match! 3.4.x to 3.5.x
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A few customers have reported issues (like a dialog showing a wrong message that the update subscription time has passed) when updating their Match! version 3.4.x (or ealier) installation to one of the more recent versions 3.5 or 3.5.1. These issues were caused either by runtime library incompatibilities and/or license file directory issues.
If you are updating from a Match! version 3.4.x (or earlier) and you are encountering any difficulties when installing or running the new version, please follow these instructions:
First of all, please copy your license file "yourlicense.lic" from your current/old Match! program directory (e.g. C:\Program Files (x86)\Match3") to a safe place (e.g. a temporary directory). Afterwards, uninstall Match!. Finally, manually remove all Match! program directories that might still exist, using the Windows Explorer.
You are now ready to download and run the corresponding new version installer from
http://crystalimpact.de/match/download.htm#download
Once you have installed the new version, please move your license file "yourlicense.lic" from the temporary directory back into the new Match! program directory. You should now be able to run Match! as usual.
更多文章...
- New Diamond version 4.5.2
- the new major version of our software CONFLEX8&Interface for worldwide
- The Trial version of CONFLEX 7 you requested can be downloaded from the links below, and the attached license file will expire on 20 August 2016.
- a new version 3.2.1 of "Match!", our software for phase identification from powder diffraction data, has just become available.