/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/ |
H A D | 1qxy_m2c.sdf | 3 Coordinates from PDB:1QXY:A:3001 Model:1 without hydrogens 73 1QXY
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/dports/devel/blitz/blitz-1.0.2/examples/ |
H A D | stencil4.f | 20 QXY = Y(I+1,J+1)-Y(I+1,J-1)-Y(I-1,J+1)+Y(I-1,J-1) 22 RY(I,J) = A*QXX+B*QYY-C*QXY
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/dports/science/py-phonopy/phonopy-2.11.0/example/NaCl-wien2k-P1/ |
H A D | NaCl-001.scf | 2606 QXX QXY QYY QZZ UP TO R 2629 QXX QXY QYY QZZ UP TO R 2652 QXX QXY QYY QZZ UP TO R 2675 QXX QXY QYY QZZ UP TO R 2698 QXX QXY QYY QZZ UP TO R 2721 QXX QXY QYY QZZ UP TO R 2744 QXX QXY QYY QZZ UP TO R 2767 QXX QXY QYY QZZ UP TO R 2790 QXX QXY QYY QZZ UP TO R 2813 QXX QXY QYY QZZ UP TO R [all …]
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H A D | NaCl-002.scf | 2606 QXX QXY QYY QZZ UP TO R 2629 QXX QXY QYY QZZ UP TO R 2652 QXX QXY QYY QZZ UP TO R 2675 QXX QXY QYY QZZ UP TO R 2698 QXX QXY QYY QZZ UP TO R 2721 QXX QXY QYY QZZ UP TO R 2744 QXX QXY QYY QZZ UP TO R 2767 QXX QXY QYY QZZ UP TO R 2790 QXX QXY QYY QZZ UP TO R 2813 QXX QXY QYY QZZ UP TO R [all …]
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/dports/science/phonopy/phonopy-2.11.0/example/NaCl-wien2k-P1/ |
H A D | NaCl-001.scf | 2606 QXX QXY QYY QZZ UP TO R 2629 QXX QXY QYY QZZ UP TO R 2652 QXX QXY QYY QZZ UP TO R 2675 QXX QXY QYY QZZ UP TO R 2698 QXX QXY QYY QZZ UP TO R 2721 QXX QXY QYY QZZ UP TO R 2744 QXX QXY QYY QZZ UP TO R 2767 QXX QXY QYY QZZ UP TO R 2790 QXX QXY QYY QZZ UP TO R 2813 QXX QXY QYY QZZ UP TO R [all …]
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H A D | NaCl-002.scf | 2606 QXX QXY QYY QZZ UP TO R 2629 QXX QXY QYY QZZ UP TO R 2652 QXX QXY QYY QZZ UP TO R 2675 QXX QXY QYY QZZ UP TO R 2698 QXX QXY QYY QZZ UP TO R 2721 QXX QXY QYY QZZ UP TO R 2744 QXX QXY QYY QZZ UP TO R 2767 QXX QXY QYY QZZ UP TO R 2790 QXX QXY QYY QZZ UP TO R 2813 QXX QXY QYY QZZ UP TO R [all …]
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/dports/shells/modernish/modernish-0.16.5/lib/modernish/cap/ |
H A D | PSREPLACE.t | 10 case $( x=AB${CC01}${CCa}${CC7F}FGHIJAB${CC01}${CCa}${CC7F}FG a=${CC01}${CCa}${CC7F} b=QXY
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/dports/science/py-phonopy/phonopy-2.11.0/example/NaCl-wien2k/ |
H A D | NaCl-002.scf | 1164 QXX QXY QYY QZZ UP TO R 1185 QXX QXY QYY QZZ UP TO R 1314 QXX QXY QYY QZZ UP TO R 1335 QXX QXY QYY QZZ UP TO R 1356 QXX QXY QYY QZZ UP TO R 1377 QXX QXY QYY QZZ UP TO R 1506 QXX QXY QYY QZZ UP TO R 1527 QXX QXY QYY QZZ UP TO R 1548 QXX QXY QYY QZZ UP TO R 1569 QXX QXY QYY QZZ UP TO R [all …]
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H A D | NaCl-001.scf | 1272 QXX QXY QYY QZZ UP TO R 1293 QXX QXY QYY QZZ UP TO R 1314 QXX QXY QYY QZZ UP TO R 1335 QXX QXY QYY QZZ UP TO R 1356 QXX QXY QYY QZZ UP TO R 1377 QXX QXY QYY QZZ UP TO R 1398 QXX QXY QYY QZZ UP TO R 1419 QXX QXY QYY QZZ UP TO R 1548 QXX QXY QYY QZZ UP TO R 1569 QXX QXY QYY QZZ UP TO R [all …]
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/dports/science/phonopy/phonopy-2.11.0/example/NaCl-wien2k/ |
H A D | NaCl-001.scf | 1272 QXX QXY QYY QZZ UP TO R 1293 QXX QXY QYY QZZ UP TO R 1314 QXX QXY QYY QZZ UP TO R 1335 QXX QXY QYY QZZ UP TO R 1356 QXX QXY QYY QZZ UP TO R 1377 QXX QXY QYY QZZ UP TO R 1398 QXX QXY QYY QZZ UP TO R 1419 QXX QXY QYY QZZ UP TO R 1548 QXX QXY QYY QZZ UP TO R 1569 QXX QXY QYY QZZ UP TO R [all …]
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H A D | NaCl-002.scf | 1164 QXX QXY QYY QZZ UP TO R 1185 QXX QXY QYY QZZ UP TO R 1314 QXX QXY QYY QZZ UP TO R 1335 QXX QXY QYY QZZ UP TO R 1356 QXX QXY QYY QZZ UP TO R 1377 QXX QXY QYY QZZ UP TO R 1506 QXX QXY QYY QZZ UP TO R 1527 QXX QXY QYY QZZ UP TO R 1548 QXX QXY QYY QZZ UP TO R 1569 QXX QXY QYY QZZ UP TO R [all …]
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/dports/graphics/dataplot/dataplot-2c1b27601a3b7523449de612613eadeead9a8f70/src/ |
H A D | dp14.F | 5192 DOUBLE PRECISION QXY(100) 5204 EQUIVALENCE(DGARBG(IDGAR1+1200),QXY(1)) 5368 1 SLOPE,NUMSLO,AINTER,RESVAR,Q,QYX,QY,QXY,NSIZE, 5617 1 SLOPE,NUMSLO,AINTER,RESVAR,Q,QYX,QY,QXY,NSIZE, 5680 DOUBLE PRECISION QXY(*) 5754 1 SLOPE,AINTER,RESVAR,Q,QYX,QY,QXY,NSIZE, 6593 1 SLOPE,AINTER,RESVAR,Q,QYX,QY,QXY,NSIZE, 6659 DOUBLE PRECISION QXY(*) 6797 QXY(NUMSLO)=Q(NUMSLO)*SLOPE(NUMSLO) 7037 DSUM3=DSUM3 + QXY(II)
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/sirius/ |
H A D | sirqmmm.F | 1369 SUBROUTINE GET_QUADRUPOLE_ELFLD(QXX,QXY,QXZ, argument 1413 DOUBLE PRECISION QXX,QXY,QXZ,QYY,QYZ,QZZ 1436 QTENS(1,2) = QXY 1438 QTENS(2,1) = QXY
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/dports/audio/py-fmoo-audiotools/audiotools-3.0/docs/reference/ |
H A D | algorithm2e.sty | 273 % * ADD: - new \SetAlgoRefName{QXY} which change the default ref (number of th… 274 % the name given in parameter (QXY in the example).
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/dports/science/dakota/dakota-6.13.0-release-public.src-UI/docs/latex-theory/ |
H A D | algorithm2e.sty | 365 % * ADD: - new \SetAlgoRefName{QXY} which change the default ref (number of th… 366 % the name given in parameter (QXY in the example).
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/dports/games/dungeon/dungeon-3.2_1/ |
H A D | DTEXTC.UU4 | 540 M&S%#:2$B(R0E)B<H(#9G+3`6*1%P*QXY-W4['W@P.#\F$&U[3T]D"RM&1TA`
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/dports/devel/bsdelf/elftoolchain-0.7.1/test/elfcopy/tc/strip-all-9/in/ |
H A D | strip-all-9.in.shar | 832 XM```"(Q@+Y0````QXY`T```(C(`O&`0``#'I?`````B,H"RH$```,>U\````"
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/dports/devel/bsdelf/elftoolchain-0.7.1/test/elfcopy/tc/strip-unneeded-2/in/ |
H A D | strip-unneeded-2.in.shar | 832 XM```"(Q@+Y0````QXY`T```(C(`O&`0``#'I?`````B,H"RH$```,>U\````"
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/dports/devel/bsdelf/elftoolchain-0.7.1/test/elfcopy/tc/strip-debug-4/in/ |
H A D | strip-debug-4.in.shar | 832 XM```"(Q@+Y0````QXY`T```(C(`O&`0``#'I?`````B,H"RH$```,>U\````"
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/dports/devel/elftoolchain/elftoolchain-0.7.1/test/elfcopy/tc/strip-unneeded-2/in/ |
H A D | strip-unneeded-2.in.shar | 832 XM```"(Q@+Y0````QXY`T```(C(`O&`0``#'I?`````B,H"RH$```,>U\````"
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/dports/devel/elftoolchain/elftoolchain-0.7.1/test/elfcopy/tc/strip-debug-4/in/ |
H A D | strip-debug-4.in.shar | 832 XM```"(Q@+Y0````QXY`T```(C(`O&`0``#'I?`````B,H"RH$```,>U\````"
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/dports/devel/elftoolchain/elftoolchain-0.7.1/test/elfcopy/tc/strip-all-9/in/ |
H A D | strip-all-9.in.shar | 832 XM```"(Q@+Y0````QXY`T```(C(`O&`0``#'I?`````B,H"RH$```,>U\````"
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/dports/devel/bsdelf/elftoolchain-0.7.1/test/elfcopy/tc/strip-all-9/out/ |
H A D | strip-all-9.out.shar | 1613 XM```"(Q@+Y0````QXY`T```(C(`O&`0``#'I?`````B,H"RH$```,>U\````"
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/dports/devel/bsdelf/elftoolchain-0.7.1/test/elfcopy/tc/strip-unneeded-2/out/ |
H A D | strip-unneeded-2.out.shar | 1613 XM```"(Q@+Y0````QXY`T```(C(`O&`0``#'I?`````B,H"RH$```,>U\````"
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/dports/devel/elftoolchain/elftoolchain-0.7.1/test/elfcopy/tc/strip-unneeded-2/out/ |
H A D | strip-unneeded-2.out.shar | 1613 XM```"(Q@+Y0````QXY`T```(C(`O&`0``#'I?`````B,H"RH$```,>U\````"
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