Home
last modified time | relevance | path

Searched refs:DOCC (Results 1 – 25 of 54) sorted by relevance

123

/dports/print/ghostscript7-x11/ghostscript-7.07/icclib/
H A Dmakefile5 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
/dports/print/ghostscript7-base/ghostscript-7.07/icclib/
H A Dmakefile5 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
/dports/science/chemps2/CheMPS2-1.8.10/PyCheMPS2/tests/
H A Dtest8.py41 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)
H A Dtest6.py41 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)
H A Dtest13.py41 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)
H A Dtest14.py41 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)
/dports/graphics/bmeps/dktools-4.31.1/scripts/
H A Dbuild-distribution70 DOCC="${HOME}/Downloads/dktools-${VERSNO}/doc/md"
82 ${DOCA} ${DOCB} ${DOCC} ${DOCD} ${DOCE} ${DOCF} ${DOCG} ${DOCH}
/dports/science/chemps2/CheMPS2-1.8.10/tests/
H A Dtest13.cpp.in45 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 );
H A Dtest6.cpp.in45 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 );
H A Dtest8.cpp.in45 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 );
H A Dtest14.cpp.in45 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 );
/dports/devel/py-cclib/cclib-1.7.1/data/Psi4/basicPsi4-1.3.1/
H A DC_bigbasis.out252 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 ]
H A Dwater_ccsd(t).out194 DOCC [ 3, 0, 1, 1 ]
273 IRREP # MOs # FZDC # DOCC # SOCC # VIRT # FZVR
H A Dwater_ccsd.out194 DOCC [ 3, 0, 1, 1 ]
273 IRREP # MOs # FZDC # DOCC # SOCC # VIRT # FZVR
H A Ddvb_ir_rhf.out14049 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 …]
/dports/devel/py-cclib/cclib-1.7.1/data/Psi4/basicPsi4-1.2.1/
H A DC_bigbasis.out254 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 ]
H A Dwater_ccsd.out191 DOCC [ 3, 0, 1, 1 ]
271 IRREP # MOs # FZDC # DOCC # SOCC # VIRT # FZVR
H A Ddvb_ir_rhf.out13664 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 …]
H A Dwater_ccsd(t).out191 DOCC [ 3, 0, 1, 1 ]
271 IRREP # MOs # FZDC # DOCC # SOCC # VIRT # FZVR
/dports/science/chemps2/CheMPS2-1.8.10/tests/matrixelements/
H A DH2O.631g.out161 DOCC [ 3, 0, 2, 0 ]
166 DOCC [ 3, 0, 1, 1 ]
250 DOCC [ 3, 0, 1, 1 ]
H A DN2.ccpvdz.out166 DOCC [ 3, 0, 0, 0, 0, 2, 1, 1 ]
253 DOCC [ 3, 0, 0, 0, 0, 2, 1, 1 ]
/dports/devel/py-cclib/cclib-1.7.1/data/QChem/basicQChem4.2/
H A Dwater_mp4.out359 DOCC = 3 0 1 1
388 NUM RESTR DOCC= 0 NUM RESTR DVIRT= 0
H A Dwater_mp4sdq.out359 DOCC = 3 0 1 1
388 NUM RESTR DOCC= 0 NUM RESTR DVIRT= 0
/dports/science/chemps2/CheMPS2-1.8.10/PyCheMPS2/
H A DPyCheMPS2.pyx239 …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[…
/dports/devel/py-cclib/cclib-1.7.1/data/QChem/basicQChem5.1/
H A Dwater_mp4.out404 DOCC = 3 0 1 1
433 NUM RESTR DOCC= 0 NUM RESTR DVIRT= 0

123