mirror of https://gitlab.com/QEF/q-e.git
15 lines
580 B
Plaintext
15 lines
580 B
Plaintext
Library Interface to Quantum ESPRESSO
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This package allows calling programs of the Quantum Espresso package as
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subroutines. At the moment this feature is restricted to do something
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similar to calling an executable with the corresponding flags through
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the system() command. This is useful for building hybrid parallel programs
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where multiple executables, or multiple copies of the same executable
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are sharing a single MPI communicator and need to exchange information
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during the run.
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Additional APIs will be added as the need arises.
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Authors:
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Axel Kohlmeyer <akohlmey@gmail.com>
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