/dports/science/qmcpack/qmcpack-3.11.0/src/AFQMC/Hamiltonians/ |
H A D | RealDenseHamiltonian_v2.cpp | 211 CMatrix H1C({NMO, NMO}); in getHamiltonianOperations() local 212 copy_n_cast(to_address(H1.origin()), NMO * NMO, H1C.origin()); in getHamiltonianOperations() 223 ma::product(PsiT[2 * nd], H1C, haj_r); in getHamiltonianOperations() 226 ma::product(PsiT[2 * nd + 1], H1C, hbj_r); in getHamiltonianOperations() 231 ma::product(ComplexType(2.0), PsiT[nd], H1C, ComplexType(0.0), haj_r); in getHamiltonianOperations()
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H A D | RealDenseHamiltonian.cpp | 213 CMatrix H1C({NMO, NMO}); in getHamiltonianOperations() local 214 copy_n_cast(to_address(H1.origin()), NMO * NMO, H1C.origin()); in getHamiltonianOperations() 225 ma::product(PsiT[2 * nd], H1C, haj_r); in getHamiltonianOperations() 228 ma::product(PsiT[2 * nd + 1], H1C, hbj_r); in getHamiltonianOperations() 233 ma::product(ComplexType(2.0), PsiT[nd], H1C, ComplexType(0.0), haj_r); in getHamiltonianOperations()
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/SE/sample_cif/ |
H A D | Co_complex.cif | 389 H1C H 0.293(7) 0.860(3) 0.444(3) 0.019 Uiso 1 1 d D . . 453 N H1C 0.873(10) . ? 506 Co N H1C 103(2) . . ? 509 H1C N H1D 106(3) . . ? 510 H1C N C3 115(2) . . ? 573 N H1C Cl 0.873(10) 2.756(18) 3.560(3) 154(3) 1_565 y
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/dports/science/cp2k-data/cp2k-7.1.0/tests/SE/sample_cif/ |
H A D | Co_complex.cif | 389 H1C H 0.293(7) 0.860(3) 0.444(3) 0.019 Uiso 1 1 d D . . 453 N H1C 0.873(10) . ? 506 Co N H1C 103(2) . . ? 509 H1C N H1D 106(3) . . ? 510 H1C N C3 115(2) . . ? 573 N H1C Cl 0.873(10) 2.756(18) 3.560(3) 154(3) 1_565 y
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/dports/science/mdynamix/md528/makemol/examples/ |
H A D | spermin.smol | 8 H1C -2.28901 6.18845 -5.18653 0.33 HC
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/dports/editors/libreoffice/libreoffice-7.2.6.2/extras/ |
H A D | CustomTarget_autotextshare.mk | 683 cs/template/H1C/content.xml \ 684 cs/template/H1C/styles.xml \ 865 da/template/H1C/content.xml \ 866 da/template/H1C/styles.xml \ 993 de/template/H1C/content.xml \ 994 de/template/H1C/styles.xml \ 1538 es/template/H1C/styles.xml \ 1706 fr/template/H1C/styles.xml \ 1951 hu/template/H1C/styles.xml \ 2098 it/template/H1C/styles.xml \ [all …]
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/dports/editors/libreoffice6/libreoffice-6.4.7.2/extras/ |
H A D | CustomTarget_autotextshare.mk | 683 cs/template/H1C/content.xml \ 684 cs/template/H1C/styles.xml \ 865 da/template/H1C/content.xml \ 866 da/template/H1C/styles.xml \ 993 de/template/H1C/content.xml \ 994 de/template/H1C/styles.xml \ 1538 es/template/H1C/styles.xml \ 1706 fr/template/H1C/styles.xml \ 1951 hu/template/H1C/styles.xml \ 2098 it/template/H1C/styles.xml \ [all …]
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/dports/biology/molden/molden5.8/plush/ |
H A D | RCD | 92 lab="H1C" NH="0"
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H A D | 4JF | 157 lab="H1C" NH="0"
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/dports/editors/libreoffice/libreoffice-7.2.6.2/oovbaapi/ooo/vba/excel/ |
H A D | XlBuildInDialog.idl | 193 const long xlDialogProtectDocument = 28; //(&H1C)
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/dports/editors/libreoffice6/libreoffice-6.4.7.2/oovbaapi/ooo/vba/excel/ |
H A D | XlBuildInDialog.idl | 193 const long xlDialogProtectDocument = 28; //(&H1C)
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/dports/science/mdynamix/md528/moldb/ |
H A D | spermin.mmol | 9 H1C -2.289 6.188 -5.187 1.0080 0.3300 0.4000 0.1926 HC 4
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/dports/devel/asl/asl-current/include/z8/ |
H A D | z88c0x.inc | 254 H1C sfr 0f5h ; Handshake Channel 1 Control (Bank 0)
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/dports/science/aircraft-datcom/aircraft-datcom-ed877bb/src/ |
H A D | hyprop.f | 66 DATA Q3131C/4H6313,4H1C ,4H /
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/dports/devel/asl/asl-current/tests/t_s8forth/ |
H A D | t_s8forth.asm | 527 ld r3,H1C ; 38 f5
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/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/others/isdb-1/charmm36-eef1sb.ff/ |
H A D | merged.rtp | 19889 H1C HGA3 0.090 13 19931 C1 H1C 27541 H1C HCA3A 0.090 3 27614 C1 H1C 28347 H1C HCA3A 0.090 3 28408 C1 H1C 28782 H1C HGA3 0.090 3 28803 C1 H1C 28849 C1 H1C 28896 C1 H1C [all …]
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/dports/devel/bsdelf/elftoolchain-0.7.1/test/elfcopy/tc/elfcopy-noops-7/out/ |
H A D | elfcopy-noops-7.out.shar | 233 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D" 930 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
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/dports/devel/elftoolchain/elftoolchain-0.7.1/test/elfcopy/tc/elfcopy-noops-7/out/ |
H A D | elfcopy-noops-7.out.shar | 233 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D" 930 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
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/dports/devel/bsdelf/elftoolchain-0.7.1/test/elfcopy/tc/elfcopy-noops-7/in/ |
H A D | elfcopy-noops-7.in.shar | 232 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
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/dports/devel/bsdelf/elftoolchain-0.7.1/test/elfcopy/tc/strip-all-8/in/ |
H A D | strip-all-8.in.shar | 232 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
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/dports/devel/elftoolchain/elftoolchain-0.7.1/test/elfcopy/tc/elfcopy-noops-7/in/ |
H A D | elfcopy-noops-7.in.shar | 232 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
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/dports/devel/elftoolchain/elftoolchain-0.7.1/test/elfcopy/tc/strip-all-8/in/ |
H A D | strip-all-8.in.shar | 232 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/minimize/forcefield/mmff/validate/ |
H A D | mmff-validation.dat | 1082 … #8 5 H3 #9 5 H4 #10 5 H5 #11 5 C1C #12 3 C3C #13 37 C4C #14 37 S1C #15 16 H1C #16 5 H3C #17 5 H4C… 1083 …3 #9 HC H4 #10 HC H5 #11 HC C1C #12 C=SN C3C #13 CB C4C #14 CB S1C #15 S=C H1C #16 HC H3C #17 HC H… 1084 …50 H5 #11 0.150 C1C #12 0.380 C3C #13 -0.150 C4C #14 -0.150 S1C #15 -0.380 H1C #16 0.060 H3C #17 0… 1085 …0.000 H5 #11 0.000 C1C #12 0.000 C3C #13 0.000 C4C #14 0.000 S1C #15 0.000 H1C #16 0.000 H3C #17 0… 2757 …N1C #17 39 N2C #18 65 C4C #19 63 C2C #20 64 C3C #21 64 C6C #22 1 C5C #23 1 H1C #24 5 H5C #25 5 H6C… 3182 …# ty P1 #1 26 C1 #2 1 C2 #3 4 N1 #4 42 H1 #5 5 H2 #6 5 C1C #7 1 C1D #8 1 C2C #9 4 H1C #10 5 H2C #1… 3183 …# symb P1 #1 P C1 #2 CR C2 #3 CSP N1 #4 NSP H1 #5 HC H2 #6 HC C1C #7 CR C1D #8 CR C2C #9 CSP H1C #… 3184 …1 #4 -0.557 H1 #5 0.000 H2 #6 0.000 C1C #7 0.367 C1D #8 0.367 C2C #9 0.357 H1C #10 0.000 H2C #11 0… 3185 …N1 #4 0.000 H1 #5 0.000 H2 #6 0.000 C1C #7 0.000 C1D #8 0.000 C2C #9 0.000 H1C #10 0.000 H2C #11 0… 3187 … 22 C2C #15 22 O1C #16 7 C5C #17 1 C4C #18 1 H4C #19 5 H5C #20 5 H6C #21 5 H1C #22 5 H2C #23 5 H3C… [all …]
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/dports/devel/bsdelf/elftoolchain-0.7.1/test/elfcopy/tc/strip-all-8/out/ |
H A D | strip-all-8.out.shar | 409 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
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/dports/devel/elftoolchain/elftoolchain-0.7.1/test/elfcopy/tc/strip-all-8/out/ |
H A D | strip-all-8.out.shar | 409 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
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