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Python 2 or 3? Python Release Schedule iCal Calendar. Python User Group iCal Calendar. Help the Python community by becoming an associate member. Or making a one-time donation. Joining users such as Rackspace.
Python 2 or 3? Python Release Schedule iCal Calendar. Python User Group iCal Calendar. Help the Python community by becoming an associate member. Or making a one-time donation. Joining users such as Rackspace.
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Rutherford Appleton Laboratory
Didcot, Oxfordshire, OX11 0QX
GB
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Rutherford Appleton Laboratory
Didcot, Oxfordshire, OX11 0QX
GB
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Welcome to ChemShell ChemShellDESCRIPTION
Skip to main content. ChemShell is a computational chemistry environment for multiscale modelling, based on the Tcl interpreter. While it supports standard quantum chemical or force field calculations, its main strength lies in hybrid QMMM calculations. The concept is to leave the time-consuming energy evaluation to external specialised codes, while ChemShell takes over the communication and data handling. Interfaces to a variety of QM and MM codes, including. Mapping of potential energy surfaces.PARSED CONTENT
The site chemshell.org had the following on the web page, "ChemShell is a computational chemistry environment for multiscale modelling, based on the Tcl interpreter." I observed that the webpage said " While it supports standard quantum chemical or force field calculations, its main strength lies in hybrid QMMM calculations." They also stated " The concept is to leave the time-consuming energy evaluation to external specialised codes, while ChemShell takes over the communication and data handling. Interfaces to a variety of QM and MM codes, including. Mapping of potential energy surfaces."ANALYZE MORE DOMAINS
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