The ORCA program systemtitanate nanotubesradionuclide Eu(IIIextended X-ray absorption fine structure (EXAFS) spectroscopyhumic acidfulvic acidORCA is a general-purpose quantum chemistry program package that features virtually all modern electronic structure methods (density functional theory, many-body ...
Neese, F. The ORCA program system. Wiley Interdiscip. Rev. Comput. Mol. Sci. 2, 73–78 (2012). Article CAS Google Scholar Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996). Article ADS CAS PubMed Go...
我最近在学校的超算上安装ORCA5试运行遇到了There are not enough slots available in the system问题，...
Orca is an object-based distributed shared memory system that is designed for writing portable and efficient parallel programs. Orca hides the communication substrate from the programmer by providing ancommunication model based on shared objects. The paper describes a new, portable implementation of Orca...
N:ORCA is currently in development, and while the repo is available to use and download, there is no documentation yet. It supports moving agents, static agents (dynamic, circle-shaped obstacles), as well as polygonal obstacles.Simulation is implemented using Unity's Job System & Burst, meanin...
Find out about the history of Orcina, from its infancy in the 1980's through to the present day. This also includes key dates in the development of OrcaFlex
Neese, F. The ORCA program system. Wiley Interdiscip. Rev. Comput. Mol. Sci. 2012, 2, 73–78. [CrossRef] 120. Rezac, J. Cuby: An integrative framework for computational chemistry. J. Comput. Chem. 2016, 37, 1230–1237. [CrossRef] [PubMed] 121. Klamt, A. Conductor-like Screening...
F. Neese Software update: the ORCA program system, version 4.0 Wiley Interdiscip. Rev. Comput. Mol. Sci., 8 (2018), pp. 0-5, 10.1002/wcms.1327 Google Scholar [27] F. Neese The ORCA program system Wiley Interdiscip. Rev. Comput. Mol. Sci., 2 (2012), pp. 73-78, 10.1002/WCMS....
Neese, F. The ORCA program system.Wiley Interdisciplinary Reviews: Computational Molecular Science2, 73–78 (2012). CASGoogle Scholar Paulechka, E. & Kazakov, A. Efficient DLPNO-CCSD(T)-Based Estimation of Formation Enthalpies for C-, H-, O-, and N-Containing Closed-Shell Compounds Validat...
(Microsoft provides a tool called ORCA to manipulate MSI packages). The VSI project can encapsulate runtime components that are defined as bootstrapper packages. Visual Studio comes with bootstrapper manifest for the .NET Framework. If you plan on using other runtime components, you will need ...