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Searched refs:SCALVE (Results 1 – 25 of 77) sorted by relevance

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/dports/science/nwchem-data/nwchem-7.0.2-release/src/lucia/
H A Dlucia_ccrsp.F767 CALL SCALVE(VEC1,FACTOR,NVAR)
843 CALL SCALVE(XJEP,ONEM,NVEC)
908 CALL SCALVE(VEC1,SCALE,NVAR)
917 CALL SCALVE(VEC2,SCALE2,NVAR)
936 CALL SCALVE(VEC1,SCALE,NVAR)
942 CALL SCALVE(VEC2,SCALE2,NVAR)
1010 CALL SCALVE(VEC1,SCALE,NVAR)
1030 CALL SCALVE(VEC1,SCALE,NVAR)
1321 CALL SCALVE(ARVEC(1,IVEC),FACTOR,NDIM)
1350 CALL SCALVE(ARVEC(1,L),FACTOR,NDIM)
[all …]
H A Dlucia_mcscf.F937 CALL SCALVE(dbl_mb(KLSTEP),ONEM,NOOEXC)
965 CALL SCALVE(dbl_mb(KLSTEP),ONEM,NOOEXC)
2599 CALL SCALVE(DIRECT,-1.0D0,NVAR)
2837 CALL SCALVE(ARVEC(1,IVEC),FACTOR,NDIM)
2838 CALL SCALVE(AIVEC(1,IVEC),FACTOR,NDIM)
2863 CALL SCALVE(ARVEC(1,L),FACTOR,NDIM)
2864 CALL SCALVE(AIVEC(1,L),FACTOR,NDIM)
3217 CALL SCALVE(SCR(KLAR3),FACTOR,NDIM)
3244 CALL SCALVE(SCR(KLAR3),FACTOR,NDIM)
3777 CALL SCALVE(VEC1,-1.0D0,NVAR)
[all …]
H A Ddiis_simple.F80 CALL SCALVE(WORK(KLRHS),ONEM,NVEC-1)
H A Dlucia_hf.F2680 CALL SCALVE(D_TILDE,COEF,LDENSI)
2723 CALL SCALVE(DOUT,FACTOR,LEND)
2776 CALL SCALVE(DOUT,FACTOR2,LEND)
4540 CALL SCALVE(WORK(KLSCR1),HALF,LENC)
4892 CALL SCALVE(X,ONEM,NDIM)
4928 CALL SCALVE(X,ONEM,NDIM)
5525 CALL SCALVE(WORK(KLSDS),ONEM,LENC)
5532 CALL SCALVE(XOCCNUM,ONEM,NTOOB)
5700 CALL SCALVE(FIVO,FACTOR,LENC)
7518 CALL SCALVE(WORK(KLSCR2),FACTOR,LENC)
[all …]
H A Dlucia1.F1432 CALL SCALVE(EIGVEC(NPDM+1,IROOT),-1.0D0,NQDM)
1436 CALL SCALVE(EIGVEC(1,IROOT),SCALE,NPQDM)
1976 CALL SCALVE(VECUT,-1.0D0,NP1)
2762 CALL SCALVE(CCM,FACTOR,LCOMB)
2786 CALL SCALVE(CSD,FACTOR,LDET)
3048 CALL SCALVE(RASVEC(IBASE),FACTOR,NELMNT)
3060 CALL SCALVE(RASVEC(IBASE),FACTOR,NELMNT)
3076 CALL SCALVE(RASVEC(IBASE),FACTOR,NELMNT)
H A Dlucia_ic.F3921 CALL SCALVE(C_REF_OUT,SCALE,N_REF)
4134 CALL SCALVE(X(IBX),SCALE,NVEC)
4952 CALL SCALVE(WORK(KLVCC1),ONEM,NVAR)
6021 CALL SCALVE(WORK(KLMAT1),ONEM,LENS2)
6037 CALL SCALVE(WORK(KLMAT1),ONEM,LENS2)
8576 CALL SCALVE(XJ(1,I),EIGHT,NNONSING)
8853 CALL SCALVE(C_REF_OUT,FACTOR,N_REF)
9639 CALL SCALVE(C_REF,FACTOR,N_REF)
10083 CALL SCALVE(X(IBX),SCALE,NVEC)
11470 CALL SCALVE(C_REF,FACTOR,N_REF)
[all …]
H A Dlucia_anders.F110 CALL SCALVE(WORK(KLKAPS),ONEM,NOOEXC)
H A Dcrop_simple.F299 CALL SCALVE(VEC1,ONEM,NVEC)
H A Dekt.F261 CALL SCALVE(SCR(1,I),DIA(I),NDIM)
652 CALL SCALVE(AMAT2,ONEM,NDIM**2)
H A Dlucia_nortci.F3955 CALL SCALVE(VOUT,FACIN,NROW)
5094 CALL SCALVE(VEC(IB),T,NCSF_PT)
5096 CALL SCALVE(VEC(IB),TT,NCSF_PT)
6199 CALL SCALVE(WORK(KLRHOB),FACTOR,NACOB**2)
6227 CALL SCALVE(WORK(KLRHOA),FACTOR,NACOB**2)
6515 CALL SCALVE(JAC(1,J),FAC1,NDIM)
6539 CALL SCALVE(JAC(1,J),-FAC1,NDIM)
7303 CALL SCALVE(WORK(KLRHOB),FACTOR,NACOB**2)
7306 CALL SCALVE(RHO2,FACTOR,LRHO2)
7515 CALL SCALVE(WORK(KLRH_SYM),ONEM,LEN_CACT)
[all …]
H A Dlucia4.F208 CALL SCALVE(X(1,IVEC), FACTOR, NDIM)
209 CALL SCALVE(SCR1,FACTOR,NDIM)
292 CALL SCALVE(VEC2,ONEM,NDIM)
3423 CALL SCALVE(WORK(KLDEN1+(K-0)*LRHO1),HALF,LRHO1)
3424 CALL SCALVE(WORK(KLDEN2+(K-0)*LRHO2),HALF,LRHO2)
6082 CALL SCALVE(X(1,IORTVC),FACTOR,NDIM)
6084 CALL SCALVE(SCR1,FACTOR,NDIM)
6106 CALL SCALVE(X(1,IVEC),FACTOR,NDIM)
6285 CALL SCALVE(X(1,IVEC), FACTOR, NDIM)
6286 CALL SCALVE(SCR1,FACTOR,NDIM)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/lucia/
H A Dlucia_ccrsp.F767 CALL SCALVE(VEC1,FACTOR,NVAR)
843 CALL SCALVE(XJEP,ONEM,NVEC)
908 CALL SCALVE(VEC1,SCALE,NVAR)
917 CALL SCALVE(VEC2,SCALE2,NVAR)
936 CALL SCALVE(VEC1,SCALE,NVAR)
942 CALL SCALVE(VEC2,SCALE2,NVAR)
1010 CALL SCALVE(VEC1,SCALE,NVAR)
1030 CALL SCALVE(VEC1,SCALE,NVAR)
1321 CALL SCALVE(ARVEC(1,IVEC),FACTOR,NDIM)
1350 CALL SCALVE(ARVEC(1,L),FACTOR,NDIM)
[all …]
H A Dlucia_mcscf.F937 CALL SCALVE(dbl_mb(KLSTEP),ONEM,NOOEXC)
965 CALL SCALVE(dbl_mb(KLSTEP),ONEM,NOOEXC)
2599 CALL SCALVE(DIRECT,-1.0D0,NVAR)
2837 CALL SCALVE(ARVEC(1,IVEC),FACTOR,NDIM)
2838 CALL SCALVE(AIVEC(1,IVEC),FACTOR,NDIM)
2863 CALL SCALVE(ARVEC(1,L),FACTOR,NDIM)
2864 CALL SCALVE(AIVEC(1,L),FACTOR,NDIM)
3217 CALL SCALVE(SCR(KLAR3),FACTOR,NDIM)
3244 CALL SCALVE(SCR(KLAR3),FACTOR,NDIM)
3777 CALL SCALVE(VEC1,-1.0D0,NVAR)
[all …]
H A Ddiis_simple.F80 CALL SCALVE(WORK(KLRHS),ONEM,NVEC-1)
H A Dlucia_hf.F2680 CALL SCALVE(D_TILDE,COEF,LDENSI)
2723 CALL SCALVE(DOUT,FACTOR,LEND)
2776 CALL SCALVE(DOUT,FACTOR2,LEND)
4540 CALL SCALVE(WORK(KLSCR1),HALF,LENC)
4892 CALL SCALVE(X,ONEM,NDIM)
4928 CALL SCALVE(X,ONEM,NDIM)
5525 CALL SCALVE(WORK(KLSDS),ONEM,LENC)
5532 CALL SCALVE(XOCCNUM,ONEM,NTOOB)
5700 CALL SCALVE(FIVO,FACTOR,LENC)
7518 CALL SCALVE(WORK(KLSCR2),FACTOR,LENC)
[all …]
H A Dlucia1.F1432 CALL SCALVE(EIGVEC(NPDM+1,IROOT),-1.0D0,NQDM)
1436 CALL SCALVE(EIGVEC(1,IROOT),SCALE,NPQDM)
1976 CALL SCALVE(VECUT,-1.0D0,NP1)
2762 CALL SCALVE(CCM,FACTOR,LCOMB)
2786 CALL SCALVE(CSD,FACTOR,LDET)
3048 CALL SCALVE(RASVEC(IBASE),FACTOR,NELMNT)
3060 CALL SCALVE(RASVEC(IBASE),FACTOR,NELMNT)
3076 CALL SCALVE(RASVEC(IBASE),FACTOR,NELMNT)
H A Dlucia_ic.F3921 CALL SCALVE(C_REF_OUT,SCALE,N_REF)
4134 CALL SCALVE(X(IBX),SCALE,NVEC)
4952 CALL SCALVE(WORK(KLVCC1),ONEM,NVAR)
6021 CALL SCALVE(WORK(KLMAT1),ONEM,LENS2)
6037 CALL SCALVE(WORK(KLMAT1),ONEM,LENS2)
8576 CALL SCALVE(XJ(1,I),EIGHT,NNONSING)
8853 CALL SCALVE(C_REF_OUT,FACTOR,N_REF)
9639 CALL SCALVE(C_REF,FACTOR,N_REF)
10083 CALL SCALVE(X(IBX),SCALE,NVEC)
11470 CALL SCALVE(C_REF,FACTOR,N_REF)
[all …]
H A Dlucia_anders.F110 CALL SCALVE(WORK(KLKAPS),ONEM,NOOEXC)
H A Dcrop_simple.F299 CALL SCALVE(VEC1,ONEM,NVEC)
H A Dekt.F261 CALL SCALVE(SCR(1,I),DIA(I),NDIM)
652 CALL SCALVE(AMAT2,ONEM,NDIM**2)
H A Dlucia_nortci.F3955 CALL SCALVE(VOUT,FACIN,NROW)
5094 CALL SCALVE(VEC(IB),T,NCSF_PT)
5096 CALL SCALVE(VEC(IB),TT,NCSF_PT)
6199 CALL SCALVE(WORK(KLRHOB),FACTOR,NACOB**2)
6227 CALL SCALVE(WORK(KLRHOA),FACTOR,NACOB**2)
6515 CALL SCALVE(JAC(1,J),FAC1,NDIM)
6539 CALL SCALVE(JAC(1,J),-FAC1,NDIM)
7303 CALL SCALVE(WORK(KLRHOB),FACTOR,NACOB**2)
7306 CALL SCALVE(RHO2,FACTOR,LRHO2)
7515 CALL SCALVE(WORK(KLRH_SYM),ONEM,LEN_CACT)
[all …]
H A Dlucia4.F208 CALL SCALVE(X(1,IVEC), FACTOR, NDIM)
209 CALL SCALVE(SCR1,FACTOR,NDIM)
292 CALL SCALVE(VEC2,ONEM,NDIM)
3423 CALL SCALVE(WORK(KLDEN1+(K-0)*LRHO1),HALF,LRHO1)
3424 CALL SCALVE(WORK(KLDEN2+(K-0)*LRHO2),HALF,LRHO2)
6082 CALL SCALVE(X(1,IORTVC),FACTOR,NDIM)
6084 CALL SCALVE(SCR1,FACTOR,NDIM)
6106 CALL SCALVE(X(1,IVEC),FACTOR,NDIM)
6285 CALL SCALVE(X(1,IVEC), FACTOR, NDIM)
6286 CALL SCALVE(SCR1,FACTOR,NDIM)
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/lucita/
H A Ddiagonalize.F584 CALL SCALVE(XJEP,ONEM,NVEC)
2688 CALL SCALVE(AMAT2,ONEM,NDIM**2)
4074 CALL SCALVE(VEC2,ONEM,NDIM)
4725 CALL SCALVE(VEC1,SCALE,NVAR)
4734 CALL SCALVE(VEC2,SCALE2,NVAR)
4753 CALL SCALVE(VEC1,SCALE,NVAR)
4759 CALL SCALVE(VEC2,SCALE2,NVAR)
4799 CALL SCALVE(VEC1,SCALE,NVAR)
4819 CALL SCALVE(VEC1,SCALE,NVAR)
4981 CALL SCALVE(VEC2,RHO,NVAR)
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/sirius/
H A Ddets1.F192 CALL SCALVE(DIAG(IOFF1),0.5D0,NA**2)
H A Dcsfstuff.F3351 CALL SCALVE(HC,-1.0D0,NHCDET)
3406 IF (PERMSM) CALL SCALVE(HC,0.5D0,NHCDET)
3645 CALL SCALVE(HC(IBASEO),PSIGN,NA*NB)
3652 CALL SCALVE(HC(IBASEO),PSIGN,NA*NB)
4027 CALL SCALVE(HC(IBASEO),PSIGN,NA*NB)
4031 CALL SCALVE(HC(IBASEO),PSIGN,NA*NB)
4038 CALL SCALVE(HC(IBASEO),PSIGN,NA*NB)
4052 CALL SCALVE(HC,-1.0D0,NHCDET)
6034 IF(PERMSM) CALL SCALVE(RHO1B,2.0D0,NORBSQ)
6137 IF(PERMSM) CALL SCALVE(RHO2A,2.0D0,NORBSQ)
[all …]

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