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Searched refs:ecps (Results 76 – 85 of 85) sorted by relevance

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/dports/science/qmcpack/qmcpack-3.11.0/nexus/tests/unit/
H A Dtest_qmcpack_input.py1473 ecps = ecp.pseudos
1512 pseudo = ecps,
1583 ecps = ecp.pseudos
1624 pseudo = ecps,
/dports/science/libecpint/libecpint-1.0.7/doc/sphinx/source/api/
H A Dprogram_listing_file__Users_robertshaw_devfiles_libecpint_include_libecpint_api.hpp.rst55 ECPBasis ecps;
H A Dprogram_listing_file__Users_robertshaw_devfiles_libecpint_new_include_libecpint_api.hpp.rst55 ECPBasis ecps;
/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/src/libxtp/dftengine/
H A Ddftengine.cc514 ECPBasisSet ecps; in RunAtomicDFT_unrestricted() local
515 ecps.Load(ecp_name_); in RunAtomicDFT_unrestricted()
516 ecp.Fill(ecps, atom); in RunAtomicDFT_unrestricted()
/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/src/libxtp/dftengine/
H A Ddftengine.cc514 ECPBasisSet ecps; in RunAtomicDFT_unrestricted() local
515 ecps.Load(ecp_name_); in RunAtomicDFT_unrestricted()
516 ecp.Fill(ecps, atom); in RunAtomicDFT_unrestricted()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/
H A Drelease.notes.4.5180 o BUG FIX: numerical problems in some CRENBS ecps
/dports/science/nwchem-data/nwchem-7.0.2-release/
H A Drelease.notes.4.5180 o BUG FIX: numerical problems in some CRENBS ecps
/dports/editors/emacs-devel/emacs-4d1968b/leim/MISC-DIC/
H A Dziranma.cin13477 ecps ��������
/dports/editors/emacs/emacs-27.2/leim/MISC-DIC/
H A Dziranma.cin13477 ecps ��������
/dports/chinese/rime-array/rime-array-d10f2f8b2aec7c7e736ace01e8a399e5ae5e7c3a/
H A Darray30_phrases.dict.yaml44874 止漲回跌 ecps'

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