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/dports/science/nwchem-data/nwchem-7.0.2-release/src/dangchang/
H A Ddc_initialize.F69 SGMSQ(1,1) = SIGMA(1)*SIGMA(1)
70 SGMSQ(2,2) = SIGMA(2)*SIGMA(2)
71 SGMSQ(3,3) = SIGMA(3)*SIGMA(3)
72 SGMSQ(4,4) = SIGMA(4)*SIGMA(4)
73 SGMSQ(1,2) = 0.5D+00*( SIGMA(1) + SIGMA(2) )
74 +*0.5D+00*( SIGMA(1) + SIGMA(2) )
77 +*0.5D+00*( SIGMA(1) + SIGMA(3) )
80 +*0.5D+00*( SIGMA(1) + SIGMA(4) )
83 +*0.5D+00*( SIGMA(2) + SIGMA(3) )
86 +*0.5D+00*( SIGMA(2) + SIGMA(4) )
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dangchang/
H A Ddc_initialize.F69 SGMSQ(1,1) = SIGMA(1)*SIGMA(1)
70 SGMSQ(2,2) = SIGMA(2)*SIGMA(2)
71 SGMSQ(3,3) = SIGMA(3)*SIGMA(3)
72 SGMSQ(4,4) = SIGMA(4)*SIGMA(4)
73 SGMSQ(1,2) = 0.5D+00*( SIGMA(1) + SIGMA(2) )
74 +*0.5D+00*( SIGMA(1) + SIGMA(2) )
77 +*0.5D+00*( SIGMA(1) + SIGMA(3) )
80 +*0.5D+00*( SIGMA(1) + SIGMA(4) )
83 +*0.5D+00*( SIGMA(2) + SIGMA(3) )
86 +*0.5D+00*( SIGMA(2) + SIGMA(4) )
[all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/fetk/punc/src/lapack/src_f77/
H A Ddlarrf.f88 DOUBLE PRECISION DELTA, EPS, S, SIGMA local
102 SIGMA = W( IFIRST )
104 SIGMA = W( ILAST )
115 SIGMA = SIGMA - ABS( SIGMA )*DELTA
117 SIGMA = SIGMA + ABS( SIGMA )*DELTA
119 S = -SIGMA
123 S = S*LPLUS( I )*L( I ) - SIGMA
142 W( I ) = W( I ) - SIGMA
144 LPLUS( N ) = SIGMA
H A Dslarrf.f88 REAL DELTA, EPS, S, SIGMA local
102 SIGMA = W( IFIRST )
104 SIGMA = W( ILAST )
115 SIGMA = SIGMA - ABS( SIGMA )*DELTA
117 SIGMA = SIGMA + ABS( SIGMA )*DELTA
119 S = -SIGMA
123 S = S*LPLUS( I )*L( I ) - SIGMA
142 W( I ) = W( I ) - SIGMA
144 LPLUS( N ) = SIGMA
/dports/science/elmerfem/elmerfem-release-9.0/mathlibs/src/lapack/
H A Ddlarrf.f88 DOUBLE PRECISION DELTA, EPS, S, SIGMA
102 SIGMA = W( IFIRST )
104 SIGMA = W( ILAST )
115 SIGMA = SIGMA - ABS( SIGMA )*DELTA
117 SIGMA = SIGMA + ABS( SIGMA )*DELTA
119 S = -SIGMA
123 S = S*LPLUS( I )*L( I ) - SIGMA
142 W( I ) = W( I ) - SIGMA
144 LPLUS( N ) = SIGMA
H A Dslarrf.f88 REAL DELTA, EPS, S, SIGMA
102 SIGMA = W( IFIRST )
104 SIGMA = W( ILAST )
115 SIGMA = SIGMA - ABS( SIGMA )*DELTA
117 SIGMA = SIGMA + ABS( SIGMA )*DELTA
119 S = -SIGMA
123 S = S*LPLUS( I )*L( I ) - SIGMA
142 W( I ) = W( I ) - SIGMA
144 LPLUS( N ) = SIGMA
/dports/math/libflame/libflame-5.2.0/old/lapack-test/lapack-timing/EIG/EIGSRC/
H A Ddlarrf.f95 DOUBLE PRECISION DELTA, EPS, S, SIGMA
109 SIGMA = W( IFIRST )
111 SIGMA = W( ILAST )
123 SIGMA = SIGMA - ABS( SIGMA )*DELTA
125 SIGMA = SIGMA + ABS( SIGMA )*DELTA
127 S = -SIGMA
132 S = S*LPLUS( I )*L( I ) - SIGMA
154 W( I ) = W( I ) - SIGMA
156 LPLUS( N ) = SIGMA
H A Dslarrf.f95 REAL DELTA, EPS, S, SIGMA
109 SIGMA = W( IFIRST )
111 SIGMA = W( ILAST )
123 SIGMA = SIGMA - ABS( SIGMA )*DELTA
125 SIGMA = SIGMA + ABS( SIGMA )*DELTA
127 S = -SIGMA
132 S = S*LPLUS( I )*L( I ) - SIGMA
154 W( I ) = W( I ) - SIGMA
156 LPLUS( N ) = SIGMA
/dports/math/openblas/TIMING/EIG/EIGSRC/
H A Ddlarrf.f95 DOUBLE PRECISION DELTA, EPS, S, SIGMA
109 SIGMA = W( IFIRST )
111 SIGMA = W( ILAST )
123 SIGMA = SIGMA - ABS( SIGMA )*DELTA
125 SIGMA = SIGMA + ABS( SIGMA )*DELTA
127 S = -SIGMA
132 S = S*LPLUS( I )*L( I ) - SIGMA
154 W( I ) = W( I ) - SIGMA
156 LPLUS( N ) = SIGMA
H A Dslarrf.f95 REAL DELTA, EPS, S, SIGMA
109 SIGMA = W( IFIRST )
111 SIGMA = W( ILAST )
123 SIGMA = SIGMA - ABS( SIGMA )*DELTA
125 SIGMA = SIGMA + ABS( SIGMA )*DELTA
127 S = -SIGMA
132 S = S*LPLUS( I )*L( I ) - SIGMA
154 W( I ) = W( I ) - SIGMA
156 LPLUS( N ) = SIGMA
/dports/math/cmlib/cmlib-3.0_8/src/snls1e/
H A Dqrfac.f1 SUBROUTINE QRFAC(M,N,A,LDA,PIVOT,IPVT,LIPVT,SIGMA,ACNORM,WA) argument
82 REAL A(LDA,N),SIGMA(N),ACNORM(N),WA(N)
94 SIGMA(J) = ACNORM(J)
95 WA(J) = SIGMA(J)
109 IF (SIGMA(K) .GT. SIGMA(KMAX)) KMAX = K
117 SIGMA(KMAX) = SIGMA(J)
150 TEMP = A(J,K)/SIGMA(K)
151 SIGMA(K) = SIGMA(K)*SQRT(AMAX1(ZERO,ONE-TEMP**2))
153 SIGMA(K) = ENORM(M-J,A(JP1,K))
154 WA(K) = SIGMA(K)
[all …]
H A Dqrsolv.f1 SUBROUTINE QRSOLV(N,R,LDR,IPVT,DIAG,QTB,X,SIGMA,WA) argument
107 SIGMA(K) = ZERO
109 SIGMA(J) = DIAG(L)
121 IF (SIGMA(K) .EQ. ZERO) GO TO 70
123 COTAN = R(K,K)/SIGMA(K)
128 TAN = SIGMA(K)/R(K,K)
136 R(K,K) = COS*R(K,K) + SIN*SIGMA(K)
146 TEMP = COS*R(I,K) + SIN*SIGMA(I)
147 SIGMA(I) = -SIN*R(I,K) + COS*SIGMA(I)
157 SIGMA(J) = R(J,J)
[all …]
/dports/math/slatec/src/
H A Ddqrfac.f2 SUBROUTINE DQRFAC (M, N, A, LDA, PIVOT, IPVT, LIPVT, SIGMA, argument
90 DOUBLE PRECISION A(LDA,*),SIGMA(*),ACNORM(*),WA(*)
102 SIGMA(J) = ACNORM(J)
103 WA(J) = SIGMA(J)
117 IF (SIGMA(K) .GT. SIGMA(KMAX)) KMAX = K
125 SIGMA(KMAX) = SIGMA(J)
158 TEMP = A(J,K)/SIGMA(K)
159 SIGMA(K) = SIGMA(K)*SQRT(MAX(ZERO,ONE-TEMP**2))
161 SIGMA(K) = DENORM(M-J,A(JP1,K))
162 WA(K) = SIGMA(K)
[all …]
H A Dqrfac.f2 SUBROUTINE QRFAC (M, N, A, LDA, PIVOT, IPVT, LIPVT, SIGMA, ACNORM, argument
87 REAL A(LDA,*),SIGMA(*),ACNORM(*),WA(*)
100 SIGMA(J) = ACNORM(J)
101 WA(J) = SIGMA(J)
115 IF (SIGMA(K) .GT. SIGMA(KMAX)) KMAX = K
123 SIGMA(KMAX) = SIGMA(J)
156 TEMP = A(J,K)/SIGMA(K)
157 SIGMA(K) = SIGMA(K)*SQRT(MAX(ZERO,ONE-TEMP**2))
159 SIGMA(K) = ENORM(M-J,A(JP1,K))
160 WA(K) = SIGMA(K)
[all …]
H A Dqrsolv.f2 SUBROUTINE QRSOLV (N, R, LDR, IPVT, DIAG, QTB, X, SIGMA, WA) argument
112 SIGMA(K) = ZERO
114 SIGMA(J) = DIAG(L)
126 IF (SIGMA(K) .EQ. ZERO) GO TO 70
128 COTAN = R(K,K)/SIGMA(K)
133 TAN = SIGMA(K)/R(K,K)
141 R(K,K) = COS*R(K,K) + SIN*SIGMA(K)
151 TEMP = COS*R(I,K) + SIN*SIGMA(I)
152 SIGMA(I) = -SIN*R(I,K) + COS*SIGMA(I)
162 SIGMA(J) = R(J,J)
[all …]
H A Ddqrslv.f2 SUBROUTINE DQRSLV (N, R, LDR, IPVT, DIAG, QTB, X, SIGMA, WA) argument
115 SIGMA(K) = ZERO
117 SIGMA(J) = DIAG(L)
129 IF (SIGMA(K) .EQ. ZERO) GO TO 70
131 COTAN = R(K,K)/SIGMA(K)
136 TAN = SIGMA(K)/R(K,K)
144 R(K,K) = COS*R(K,K) + SIN*SIGMA(K)
154 TEMP = COS*R(I,K) + SIN*SIGMA(I)
155 SIGMA(I) = -SIN*R(I,K) + COS*SIGMA(I)
165 SIGMA(J) = R(J,J)
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-14/
H A Dopbend_test.inp44 SIGMA [au_l] 1.0
49 SIGMA [au_l] 1.0
54 SIGMA [au_l] 1.0
59 SIGMA [au_l] 1.0
64 SIGMA [au_l] 1.0
69 SIGMA [au_l] 1.0
74 SIGMA [au_l] 1.0
79 SIGMA [au_l] 1.0
84 SIGMA [au_l] 1.0
89 SIGMA [au_l] 1.0
[all …]
H A Dimp_test_12.inp60 SIGMA [au_l] 1.0
65 SIGMA [au_l] 1.0
70 SIGMA [au_l] 1.0
75 SIGMA [au_l] 1.0
80 SIGMA [au_l] 1.0
85 SIGMA [au_l] 1.0
90 SIGMA [au_l] 1.0
95 SIGMA [au_l] 1.0
100 SIGMA [au_l] 1.0
105 SIGMA [au_l] 1.0
[all …]
H A Dimp_test_21.inp60 SIGMA [au_l] 1.0
65 SIGMA [au_l] 1.0
70 SIGMA [au_l] 1.0
75 SIGMA [au_l] 1.0
80 SIGMA [au_l] 1.0
85 SIGMA [au_l] 1.0
90 SIGMA [au_l] 1.0
95 SIGMA [au_l] 1.0
100 SIGMA [au_l] 1.0
105 SIGMA [au_l] 1.0
[all …]
H A Dimp_test_22.inp60 SIGMA [au_l] 1.0
65 SIGMA [au_l] 1.0
70 SIGMA [au_l] 1.0
75 SIGMA [au_l] 1.0
80 SIGMA [au_l] 1.0
85 SIGMA [au_l] 1.0
90 SIGMA [au_l] 1.0
95 SIGMA [au_l] 1.0
100 SIGMA [au_l] 1.0
105 SIGMA [au_l] 1.0
[all …]
H A Dimp_test_11.inp60 SIGMA [au_l] 1.0
65 SIGMA [au_l] 1.0
70 SIGMA [au_l] 1.0
75 SIGMA [au_l] 1.0
80 SIGMA [au_l] 1.0
85 SIGMA [au_l] 1.0
90 SIGMA [au_l] 1.0
95 SIGMA [au_l] 1.0
100 SIGMA [au_l] 1.0
105 SIGMA [au_l] 1.0
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-14/
H A Dopbend_test.inp44 SIGMA [au_l] 1.0
49 SIGMA [au_l] 1.0
54 SIGMA [au_l] 1.0
59 SIGMA [au_l] 1.0
64 SIGMA [au_l] 1.0
69 SIGMA [au_l] 1.0
74 SIGMA [au_l] 1.0
79 SIGMA [au_l] 1.0
84 SIGMA [au_l] 1.0
89 SIGMA [au_l] 1.0
[all …]
H A Dimp_test_22.inp60 SIGMA [au_l] 1.0
65 SIGMA [au_l] 1.0
70 SIGMA [au_l] 1.0
75 SIGMA [au_l] 1.0
80 SIGMA [au_l] 1.0
85 SIGMA [au_l] 1.0
90 SIGMA [au_l] 1.0
95 SIGMA [au_l] 1.0
100 SIGMA [au_l] 1.0
105 SIGMA [au_l] 1.0
[all …]
H A Dimp_test_12.inp60 SIGMA [au_l] 1.0
65 SIGMA [au_l] 1.0
70 SIGMA [au_l] 1.0
75 SIGMA [au_l] 1.0
80 SIGMA [au_l] 1.0
85 SIGMA [au_l] 1.0
90 SIGMA [au_l] 1.0
95 SIGMA [au_l] 1.0
100 SIGMA [au_l] 1.0
105 SIGMA [au_l] 1.0
[all …]
H A Dimp_test_21.inp60 SIGMA [au_l] 1.0
65 SIGMA [au_l] 1.0
70 SIGMA [au_l] 1.0
75 SIGMA [au_l] 1.0
80 SIGMA [au_l] 1.0
85 SIGMA [au_l] 1.0
90 SIGMA [au_l] 1.0
95 SIGMA [au_l] 1.0
100 SIGMA [au_l] 1.0
105 SIGMA [au_l] 1.0
[all …]

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