fb16dfecae
Commit b7f05445c0 has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.
This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.
Approved by: portmgr (tcberner)
17 lines
1,008 B
Text
17 lines
1,008 B
Text
The Chebyshev Interaction Model for Efficient Simulation (ChIMES) is
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a machine-learned interatomic potential that can target chemical
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reactivity. ChIMES models are able to approach quantum-accuracy
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through a systematically improvable explicitly many-bodied basis
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comprised of linear combinations of Chebyshev polynomials. ChIMES has
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successfully been applied to a number of condensed phase systems,
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including water under ambient and extreme conditions, molten carbon,
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and liquid carbon monoxide under planetary interior conditions. ChIMES
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can also be used as a many-body repulsive energy for the density
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functional based tight binding (DFTB) method.
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The ChIMES calculator comprises a flexible tool set for evaluating
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ChIMES interactions (e.g. in simulations, single point calculations,
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etc). Users have the option of directly embedding the ChIMES
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calculator within their codes, or evaluating interactions through the
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beginner-friendly serial interface, each of which have Python, C++, C,
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and FORTRAN API's.
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