2faf2ce076
xtb is a semiempirical extended tight-binding program package with application in computational chemistry and matrials science. Port is configured to use OpenBLAS to facilitate performance. WWW: https://github.com/grimme-lab/xtb
14 lines
364 B
Plaintext
14 lines
364 B
Plaintext
bin/xtb
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include/xtb/xtb.h
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lib/libxtb.a
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lib/libxtb.so
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share/cmake/xtb/xtbConfig.cmake
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share/cmake/xtb/xtbConfigVersion.cmake
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share/cmake/xtb/xtbTargets-%%CMAKE_BUILD_TYPE%%.cmake
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share/cmake/xtb/xtbTargets.cmake
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%%DATADIR%%/.param_gfnff.xtb
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%%DATADIR%%/param_gfn0-xtb.txt
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%%DATADIR%%/param_gfn1-xtb.txt
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%%DATADIR%%/param_gfn2-xtb.txt
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%%DATADIR%%/param_ipea-xtb.txt
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