/dports/print/ghostscript7-x11/ghostscript-7.07/icclib/ |
H A D | makefile | 5 DOCC = $(CC) -c $(CFLAGS) macro 26 $(DOCC) $(OF)icc.$(O) icc.c 33 $(DOCC) $(OF)icctest.$(O) icctest.c 40 $(DOCC) $(OF)lutest.$(O) lutest.c 47 $(DOCC) $(OF)icclu.$(O) icclu.c 54 $(DOCC) $(OF)iccdump.$(O) iccdump.c 61 $(DOCC) $(OF)iccrw.$(O) iccrw.c 68 $(DOCC) $(OF)fbtest.$(O) fbtest.c
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/dports/print/ghostscript7-base/ghostscript-7.07/icclib/ |
H A D | makefile | 5 DOCC = $(CC) -c $(CFLAGS) macro 26 $(DOCC) $(OF)icc.$(O) icc.c 33 $(DOCC) $(OF)icctest.$(O) icctest.c 40 $(DOCC) $(OF)lutest.$(O) lutest.c 47 $(DOCC) $(OF)icclu.$(O) icclu.c 54 $(DOCC) $(OF)iccdump.$(O) iccdump.c 61 $(DOCC) $(OF)iccrw.$(O) iccrw.c 68 $(DOCC) $(OF)fbtest.$(O) fbtest.c
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/dports/science/chemps2/CheMPS2-1.8.10/PyCheMPS2/tests/ |
H A D | test8.py | 41 DOCC = np.array([ 3, 0, 0, 0, 0, 2, 1, 1 ], dtype=ctypes.c_int) # see N2.ccpvdz.out variable 46 theDMRGSCF = PyCheMPS2.PyCASSCF(Ham, DOCC, SOCC, NOCC, NDMRG, NVIRT)
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H A D | test6.py | 41 DOCC = np.array([ 2, 0, 1, 1, 0, 2, 1, 1 ], dtype=ctypes.c_int) # see O2.ccpvdz.out variable 46 theDMRGSCF = PyCheMPS2.PyCASSCF(Ham, DOCC, SOCC, NOCC, NDMRG, NVIRT)
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H A D | test13.py | 41 DOCC = np.array([ 3, 0, 0, 0, 0, 2, 1, 1 ], dtype=ctypes.c_int) # see N2.ccpvdz.out variable 46 theDMRGSCF = PyCheMPS2.PyCASSCF(Ham, DOCC, SOCC, NOCC, NDMRG, NVIRT)
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H A D | test14.py | 41 DOCC = np.array([ 3, 0, 0, 0, 0, 2, 1, 1 ], dtype=ctypes.c_int) # see N2.ccpvdz.out variable 46 theDMRGSCF = PyCheMPS2.PyCASSCF(Ham, DOCC, SOCC, NOCC, NDMRG, NVIRT)
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/dports/graphics/bmeps/dktools-4.31.1/scripts/ |
H A D | build-distribution | 70 DOCC="${HOME}/Downloads/dktools-${VERSNO}/doc/md" 82 ${DOCA} ${DOCB} ${DOCC} ${DOCD} ${DOCE} ${DOCF} ${DOCG} ${DOCH}
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/dports/science/chemps2/CheMPS2-1.8.10/tests/ |
H A D | test13.cpp.in | 45 int DOCC[] = { 3, 0, 0, 0, 0, 2, 1, 1 }; // see N2.ccpvdz.out local 50 CheMPS2::CASSCF koekoek( Ham, DOCC, SOCC, NOCC, NDMRG, NVIRT );
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H A D | test6.cpp.in | 45 int DOCC[] = { 2, 0, 1, 1, 0, 2, 1, 1 }; // see O2.ccpvdz.out local 50 CheMPS2::CASSCF koekoek( Ham, DOCC, SOCC, NOCC, NDMRG, NVIRT );
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H A D | test8.cpp.in | 45 int DOCC[] = { 3, 0, 0, 0, 0, 2, 1, 1 }; // see N2.ccpvdz.out local 50 CheMPS2::CASSCF koekoek( Ham, DOCC, SOCC, NOCC, NDMRG, NVIRT );
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H A D | test14.cpp.in | 45 int DOCC[] = { 3, 0, 0, 0, 0, 2, 1, 1 }; // see N2.ccpvdz.out local 50 CheMPS2::CASSCF koekoek( Ham, DOCC, SOCC, NOCC, NDMRG, NVIRT );
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/dports/devel/py-cclib/cclib-1.7.1/data/Psi4/basicPsi4-1.3.1/ |
H A D | C_bigbasis.out | 252 DOCC [ 2, 0, 0, 0, 0, 0, 0, 1 ] 257 DOCC [ 2, 0, 0, 0, 0, 1, 0, 0 ] 309 DOCC [ 2, 0, 0, 0, 0, 1, 0, 0 ]
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H A D | water_ccsd(t).out | 194 DOCC [ 3, 0, 1, 1 ] 273 IRREP # MOs # FZDC # DOCC # SOCC # VIRT # FZVR
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H A D | water_ccsd.out | 194 DOCC [ 3, 0, 1, 1 ] 273 IRREP # MOs # FZDC # DOCC # SOCC # VIRT # FZVR
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H A D | dvb_ir_rhf.out | 14049 DOCC [ 18, 17 ] 14391 DOCC [ 18, 17 ] 14733 DOCC [ 18, 17 ] 15075 DOCC [ 18, 17 ] 15417 DOCC [ 18, 17 ] 15759 DOCC [ 18, 17 ] 16101 DOCC [ 18, 17 ] 16443 DOCC [ 18, 17 ] 16785 DOCC [ 17, 18 ] 17127 DOCC [ 17, 18 ] [all …]
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/dports/devel/py-cclib/cclib-1.7.1/data/Psi4/basicPsi4-1.2.1/ |
H A D | C_bigbasis.out | 254 DOCC [ 2, 0, 0, 0, 0, 0, 0, 1 ] 259 DOCC [ 2, 0, 0, 0, 0, 1, 0, 0 ] 309 DOCC [ 2, 0, 0, 0, 0, 1, 0, 0 ]
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H A D | water_ccsd.out | 191 DOCC [ 3, 0, 1, 1 ] 271 IRREP # MOs # FZDC # DOCC # SOCC # VIRT # FZVR
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H A D | dvb_ir_rhf.out | 13664 DOCC [ 18, 17 ] 14006 DOCC [ 18, 17 ] 14348 DOCC [ 18, 17 ] 14690 DOCC [ 18, 17 ] 15032 DOCC [ 18, 17 ] 15374 DOCC [ 18, 17 ] 15716 DOCC [ 18, 17 ] 16058 DOCC [ 18, 17 ] 16399 DOCC [ 17, 18 ] 16740 DOCC [ 17, 18 ] [all …]
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H A D | water_ccsd(t).out | 191 DOCC [ 3, 0, 1, 1 ] 271 IRREP # MOs # FZDC # DOCC # SOCC # VIRT # FZVR
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/dports/science/chemps2/CheMPS2-1.8.10/tests/matrixelements/ |
H A D | H2O.631g.out | 161 DOCC [ 3, 0, 2, 0 ] 166 DOCC [ 3, 0, 1, 1 ] 250 DOCC [ 3, 0, 1, 1 ]
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H A D | N2.ccpvdz.out | 166 DOCC [ 3, 0, 0, 0, 0, 2, 1, 1 ] 253 DOCC [ 3, 0, 0, 0, 0, 2, 1, 1 ]
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/dports/devel/py-cclib/cclib-1.7.1/data/QChem/basicQChem4.2/ |
H A D | water_mp4.out | 359 DOCC = 3 0 1 1 388 NUM RESTR DOCC= 0 NUM RESTR DVIRT= 0
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H A D | water_mp4sdq.out | 359 DOCC = 3 0 1 1 388 NUM RESTR DOCC= 0 NUM RESTR DVIRT= 0
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/dports/science/chemps2/CheMPS2-1.8.10/PyCheMPS2/ |
H A D | PyCheMPS2.pyx | 239 …def __cinit__(self, PyHamiltonian theHam, np.ndarray[int, ndim=1, mode="c"] DOCC not None, np.ndar… 240 assert DOCC.flags['C_CONTIGUOUS'] 245 …self.thisptr = new DMRGSCF.CASSCF(theHam.thisptr, &DOCC[0], &SOCC[0], &NOCC[0], &NDMRG[0], &NVIRT[…
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/dports/devel/py-cclib/cclib-1.7.1/data/QChem/basicQChem5.1/ |
H A D | water_mp4.out | 404 DOCC = 3 0 1 1 433 NUM RESTR DOCC= 0 NUM RESTR DVIRT= 0
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