COSMOlogic TURBOMOLE 2016 v7.1
COSMOlogic TURBOMOLE 2016 v7.1
File Size|文件大小：598MB
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【安装类型：安装版====系统类型：Win====语言类型：英文】
TURBOMOLE是一个高度优化的软件包，用于模拟分子，团簇和周期性固体的大规模量子化学。TURBOMOLE软件使用高斯基集，专门研究电子结构预测方法，如:密度函数理论，二阶m
TURBOMOLE经过优化，可以在许多硬件平台上运行Linux, Windows, Apple系统与Mac OS X, IBM, SGI和Cray Unix / Linux机器，这些机器通常在超级计算机中心可用。
一般来说，我们建议每个核心至少有1gb内存和10gb空闲磁盘空间的机器。64位硬件和操作系统是必需的。TURBOMOLE的所有版本都包括并行版本，但对于大量使用或耗时的并行作业，强烈建议使用Linux。
阅读Crack文件夹中的Readme.txt文件。
下载COSMOlogic_TURBOMOLE_2016_v7.1
559 MB
TURBOMOLE is a highly optimized software package for simulating large-scale quantum chemistry of molecules, clusters and periodic solids. TURBOMOLE software uses the Gaussian basis set and specializes in electron structure prediction methods such as: density function theory, second-order Müller Plesset theory. These methods are combined with extremely efficient and stable numerical algorithms such as direct integral and Laplace transform, identity resolution, natural orbital coupling and fast polarization. TURBOMOLE software is one of the fastest and most stable code available for quantum chemistry. Unlike many other applications, the main focus of TURBOMOLE development is not to implement all methods and functions, but to provide a fast and consistent code capable of treating industrial molecules in a reasonable amount of time and memory required. .
TURBOMOLE is optimized to run out-of-the-box on many hardware platforms running Linux, Windows, Apple systems with Mac OS X, IBM, SGI and Cray Unix / Linux machines which are usually available at supercomputer centers.
In general we recommend machines with at least 1 GB of memory per core and a few ten GB of free disk space. 64Bit Hardware and OS is mandatory. All versions of TURBOMOLE include the parallel version, but for intense use or time consuming parallel jobs Linux is highly recommended.
Read the Readme.txt file in the Crack folder.
Download COSMOlogic_TURBOMOLE_2016_v7.1
559 MB
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COSMOlogic TURBOMOLE 2016 v7.1
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