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/dports/math/cmlib/cmlib-3.0_8/src/snls1e/
H A Dlmpar.f115 WA1(J) = QTB(J)
122 WA1(J) = WA1(J)/R(J,J)
123 TEMP = WA1(J)
127 WA1(I) = WA1(I) - R(I,J)*TEMP
134 X(L) = WA1(J)
167 WA1(J) = (WA1(J) - SUM)/R(J,J)
169 TEMP = ENORM(N,WA1)
183 GNORM = ENORM(N,WA1)
229 WA1(J) = WA1(J)/SIGMA(J)
230 TEMP = WA1(J)
[all …]
H A Dscov.f1 SUBROUTINE SCOV(FCN,IOPT,M,N,X,FVEC,R,LDR,INFO,WA1,WA2,WA3,WA4) argument
145 REAL X(N),R(LDR,N),FVEC(M),WA1(N),WA2(N),WA3(N),WA4(M)
179 CALL QRFAC(M,N,R,LDR,.FALSE.,IDUM,1,WA1,WA1,WA1)
181 120 R(I,I)=WA1(I)
197 CALL FCN(IFLAG,M,N,X,FVEC,WA1,NROW)
200 CALL RWUPDT(N,R,LDR,WA1,WA2,TEMP,WA3,WA4)
219 WA1(I)=ZERO
221 WA1(K)=ONE
223 R(K,K)=WA1(K)/R(K,K)
229 WA1(J)=WA1(J)-R(K,I-1)*R(I-1,J)
[all …]
H A Ddogleg.f1 SUBROUTINE DOGLEG(N,R,LR,DIAG,QTB,DELTA,X,WA1,WA2) argument
64 REAL R(LR),DIAG(N),QTB(N),X(N),WA1(N),WA2(N)
103 WA1(J) = ZERO
116 WA1(I) = WA1(I) + R(L)*TEMP
119 WA1(J) = WA1(J)/DIAG(J)
125 GNORM = ENORM(N,WA1)
130 WA1(J) = (WA1(J)/GNORM)/DIAG(J)
140 SUM = SUM + R(L)*WA1(I)
170 X(J) = TEMP*WA1(J) + ALPHA*X(J)
/dports/math/slatec/src/
H A Ddmpar.f3 + SIGMA, WA1, WA2)
124 WA1(J) = QTB(J)
131 WA1(J) = WA1(J)/R(J,J)
132 TEMP = WA1(J)
136 WA1(I) = WA1(I) - R(I,J)*TEMP
143 X(L) = WA1(J)
176 WA1(J) = (WA1(J) - SUM)/R(J,J)
178 TEMP = DENORM(N,WA1)
238 WA1(J) = WA1(J)/SIGMA(J)
239 TEMP = WA1(J)
[all …]
H A Dlmpar.f3 + SIGMA, WA1, WA2)
120 WA1(J) = QTB(J)
127 WA1(J) = WA1(J)/R(J,J)
128 TEMP = WA1(J)
132 WA1(I) = WA1(I) - R(I,J)*TEMP
139 X(L) = WA1(J)
172 WA1(J) = (WA1(J) - SUM)/R(J,J)
174 TEMP = ENORM(N,WA1)
234 WA1(J) = WA1(J)/SIGMA(J)
235 TEMP = WA1(J)
[all …]
H A Ddcov.f2 SUBROUTINE DCOV (FCN, IOPT, M, N, X, FVEC, R, LDR, INFO, WA1, WA2, argument
156 DOUBLE PRECISION X(*),R(LDR,*),FVEC(*),WA1(*),WA2(*),WA3(*),
192 CALL DQRFAC(M,N,R,LDR,.FALSE.,IDUM,1,WA1,WA1,WA1)
194 120 R(I,I)=WA1(I)
210 CALL FCN(IFLAG,M,N,X,FVEC,WA1,NROW)
213 CALL DWUPDT(N,R,LDR,WA1,WA2,TEMP,WA3,WA4)
232 WA1(I)=ZERO
234 WA1(K)=ONE
236 R(K,K)=WA1(K)/R(K,K)
242 WA1(J)=WA1(J)-R(K,I-1)*R(I-1,J)
[all …]
H A Dscov.f2 SUBROUTINE SCOV (FCN, IOPT, M, N, X, FVEC, R, LDR, INFO, WA1, WA2, argument
148 REAL X(*),R(LDR,*),FVEC(*),WA1(*),WA2(*),WA3(*),WA4(*)
183 CALL QRFAC(M,N,R,LDR,.FALSE.,IDUM,1,WA1,WA1,WA1)
185 120 R(I,I)=WA1(I)
201 CALL FCN(IFLAG,M,N,X,FVEC,WA1,NROW)
204 CALL RWUPDT(N,R,LDR,WA1,WA2,TEMP,WA3,WA4)
223 WA1(I)=ZERO
225 WA1(K)=ONE
227 R(K,K)=WA1(K)/R(K,K)
233 WA1(J)=WA1(J)-R(K,I-1)*R(I-1,J)
[all …]
H A Dpassb2.f2 SUBROUTINE PASSB2 (IDO, L1, CC, CH, WA1) argument
21 DIMENSION CC(IDO,2,*), CH(IDO,L1,2), WA1(*)
39 CH(I,K,2) = WA1(I-1)*TI2+WA1(I)*TR2
40 CH(I-1,K,2) = WA1(I-1)*TR2-WA1(I)*TI2
51 CH(I,K,2) = WA1(I-1)*TI2+WA1(I)*TR2
52 CH(I-1,K,2) = WA1(I-1)*TR2-WA1(I)*TI2
H A Dpassf2.f2 SUBROUTINE PASSF2 (IDO, L1, CC, CH, WA1) argument
21 DIMENSION CC(IDO,2,*), CH(IDO,L1,2), WA1(*)
39 CH(I,K,2) = WA1(I-1)*TI2-WA1(I)*TR2
40 CH(I-1,K,2) = WA1(I-1)*TR2+WA1(I)*TI2
51 CH(I,K,2) = WA1(I-1)*TI2-WA1(I)*TR2
52 CH(I-1,K,2) = WA1(I-1)*TR2+WA1(I)*TI2
H A Dradf2.f2 SUBROUTINE RADF2 (IDO, L1, CC, CH, WA1) argument
21 DIMENSION CH(IDO,2,*), CC(IDO,L1,2), WA1(*)
34 TR2 = WA1(I-2)*CC(I-1,K,2)+WA1(I-1)*CC(I,K,2)
35 TI2 = WA1(I-2)*CC(I,K,2)-WA1(I-1)*CC(I-1,K,2)
47 TR2 = WA1(I-2)*CC(I-1,K,2)+WA1(I-1)*CC(I,K,2)
48 TI2 = WA1(I-2)*CC(I,K,2)-WA1(I-1)*CC(I-1,K,2)
H A Dddoglg.f2 SUBROUTINE DDOGLG (N, R, LR, DIAG, QTB, DELTA, X, WA1, WA2) argument
68 1 ONE, QNORM, QTB(*), R(*), SGNORM, SUM, TEMP, WA1(*),
109 WA1(J) = ZERO
122 WA1(I) = WA1(I) + R(L)*TEMP
125 WA1(J) = WA1(J)/DIAG(J)
131 GNORM = DENORM(N,WA1)
140 WA1(J) = (WA1(J)/GNORM)/DIAG(J)
146 SUM = SUM + R(L)*WA1(I)
176 X(J) = TEMP*WA1(J) + ALPHA*X(J)
H A Ddogleg.f2 SUBROUTINE DOGLEG (N, R, LR, DIAG, QTB, DELTA, X, WA1, WA2) argument
67 REAL R(LR),DIAG(*),QTB(*),X(*),WA1(*),WA2(*)
107 WA1(J) = ZERO
120 WA1(I) = WA1(I) + R(L)*TEMP
123 WA1(J) = WA1(J)/DIAG(J)
129 GNORM = ENORM(N,WA1)
134 WA1(J) = (WA1(J)/GNORM)/DIAG(J)
144 SUM = SUM + R(L)*WA1(I)
174 X(J) = TEMP*WA1(J) + ALPHA*X(J)
H A Dradb2.f2 SUBROUTINE RADB2 (IDO, L1, CC, CH, WA1) argument
21 DIMENSION CC(IDO,2,*), CH(IDO,L1,2), WA1(*)
38 CH(I-1,K,2) = WA1(I-2)*TR2-WA1(I-1)*TI2
39 CH(I,K,2) = WA1(I-2)*TI2+WA1(I-1)*TR2
51 CH(I-1,K,2) = WA1(I-2)*TR2-WA1(I-1)*TI2
52 CH(I,K,2) = WA1(I-2)*TI2+WA1(I-1)*TR2
/dports/math/cmlib/cmlib-3.0_8/src/vfft/
H A Dvradf3.f1 SUBROUTINE VRADF3 (MP,IDO,L1,CC,CH,MDIMC,WA1,WA2) argument
6 1 WA1(IDO) ,WA2(IDO)
27 CH(M,I,1,K) = CC(M,I,K,1)+((WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*
30 CH(M,I-1,3,K) = (CC(M,I-1,K,1)+TAUR*((WA1(I-2)*
31 1 CC(M,I-1,K,2)+WA1(I-1)*CC(M,I,K,2))+(WA2(I-2)*
33 1 CC(M,I,K,2)-WA1(I-1)*CC(M,I-1,K,2))-(WA2(I-2)*
35 CH(M,IC-1,2,K) = (CC(M,I-1,K,1)+TAUR*((WA1(I-2)*
36 1 CC(M,I-1,K,2)+WA1(I-1)*CC(M,I,K,2))+(WA2(I-2)*
38 1 CC(M,I,K,2)-WA1(I-1)*CC(M,I-1,K,2))-(WA2(I-2)*
43 1 CC(M,I,K,3))-(WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
[all …]
H A Dvradf5.f1 SUBROUTINE VRADF5 (MP,IDO,L1,CC,CH,MDIMC,WA1,WA2,WA3,WA4) argument
6 1 WA1(IDO) ,WA2(IDO) ,WA3(IDO) ,WA4(IDO)
36 CH(M,I,1,K) = CC(M,I,K,1)+((WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*
42 1 ( WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*CC(M,I,K,2)
46 1 ( WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*CC(M,I-1,K,2)
51 1 ( WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*CC(M,I,K,2)
55 1 ( WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*CC(M,I-1,K,2)
64 1 WA4(I-1)*CC(M,I,K,5))-(WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
69 1 CC(M,I,K,5))-(WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
100 1 WA4(I-1)*CC(M,I,K,5))-(WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
[all …]
H A Dvradf2.f1 SUBROUTINE VRADF2 (MP,IDO,L1,CC,CH,MDIMC,WA1) argument
6 1 WA1(IDO)
19 CH(M,I,1,K) = CC(M,I,K,1)+(WA1(I-2)*CC(M,I,K,2)-
20 1 WA1(I-1)*CC(M,I-1,K,2))
21 CH(M,IC,2,K) = (WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*
23 CH(M,I-1,1,K) = CC(M,I-1,K,1)+(WA1(I-2)*CC(M,I-1,K,2)+
24 1 WA1(I-1)*CC(M,I,K,2))
25 CH(M,IC-1,2,K) = CC(M,I-1,K,1)-(WA1(I-2)*CC(M,I-1,K,2)+
26 1 WA1(I-1)*CC(M,I,K,2))
H A Dvradf4.f1 SUBROUTINE VRADF4 (MP,IDO,L1,CC,CH,MDIMC,WA1,WA2,WA3) argument
6 1 WA1(IDO) ,WA2(IDO) ,WA3(IDO)
24 CH(M,I-1,1,K) = ((WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
29 1 WA2(I-1)*CC(M,I,K,3)))-((WA1(I-2)*CC(M,I-1,K,2)+
30 1 WA1(I-1)*CC(M,I,K,2))+(WA3(I-2)*CC(M,I-1,K,4)+
32 CH(M,I,1,K) = ((WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*
36 CH(M,IC,4,K) = ((WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*
40 CH(M,I-1,3,K) = ((WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*
45 1 WA2(I-1)*CC(M,I,K,3)))-((WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*
49 1 CC(M,I,K,4))-(WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
[all …]
/dports/math/cmlib/cmlib-3.0_8/src/fftpkg/
H A Dpassf2.f1 SUBROUTINE PASSF2(IDO,L1,CC,CH,WA1) argument
10 1 WA1(*)
28 CH(I,K,2) = WA1(I-1)*TI2-WA1(I)*TR2
29 CH(I-1,K,2) = WA1(I-1)*TR2+WA1(I)*TI2
40 CH(I,K,2) = WA1(I-1)*TI2-WA1(I)*TR2
41 CH(I-1,K,2) = WA1(I-1)*TR2+WA1(I)*TI2
H A Dradf2.f1 SUBROUTINE RADF2(IDO,L1,CC,CH,WA1) argument
10 1 WA1(*)
23 TR2 = WA1(I-2)*CC(I-1,K,2)+WA1(I-1)*CC(I,K,2)
24 TI2 = WA1(I-2)*CC(I,K,2)-WA1(I-1)*CC(I-1,K,2)
36 TR2 = WA1(I-2)*CC(I-1,K,2)+WA1(I-1)*CC(I,K,2)
37 TI2 = WA1(I-2)*CC(I,K,2)-WA1(I-1)*CC(I-1,K,2)
H A Dpassb2.f1 SUBROUTINE PASSB2(IDO,L1,CC,CH,WA1) argument
10 1 WA1(*)
28 CH(I,K,2) = WA1(I-1)*TI2+WA1(I)*TR2
29 CH(I-1,K,2) = WA1(I-1)*TR2-WA1(I)*TI2
40 CH(I,K,2) = WA1(I-1)*TI2+WA1(I)*TR2
41 CH(I-1,K,2) = WA1(I-1)*TR2-WA1(I)*TI2
H A Dradb2.f1 SUBROUTINE RADB2(IDO,L1,CC,CH,WA1) argument
10 1 WA1(*)
27 CH(I-1,K,2) = WA1(I-2)*TR2-WA1(I-1)*TI2
28 CH(I,K,2) = WA1(I-2)*TI2+WA1(I-1)*TR2
40 CH(I-1,K,2) = WA1(I-2)*TR2-WA1(I-1)*TI2
41 CH(I,K,2) = WA1(I-2)*TI2+WA1(I-1)*TR2
/dports/math/PDL/PDL-2.019/Lib/Slatec/slatec/
H A Dradf2.f2 SUBROUTINE RADF2 (IDO, L1, CC, CH, WA1) argument
21 DIMENSION CH(IDO,2,*), CC(IDO,L1,2), WA1(*)
34 TR2 = WA1(I-2)*CC(I-1,K,2)+WA1(I-1)*CC(I,K,2)
35 TI2 = WA1(I-2)*CC(I,K,2)-WA1(I-1)*CC(I-1,K,2)
47 TR2 = WA1(I-2)*CC(I-1,K,2)+WA1(I-1)*CC(I,K,2)
48 TI2 = WA1(I-2)*CC(I,K,2)-WA1(I-1)*CC(I-1,K,2)
H A Dradb2.f2 SUBROUTINE RADB2 (IDO, L1, CC, CH, WA1) argument
21 DIMENSION CC(IDO,2,*), CH(IDO,L1,2), WA1(*)
38 CH(I-1,K,2) = WA1(I-2)*TR2-WA1(I-1)*TI2
39 CH(I,K,2) = WA1(I-2)*TI2+WA1(I-1)*TR2
51 CH(I-1,K,2) = WA1(I-2)*TR2-WA1(I-1)*TI2
52 CH(I,K,2) = WA1(I-2)*TI2+WA1(I-1)*TR2
/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/fast/
H A Dvsint.orig.f191 CH(M,IC,2,K) = (WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*
252 1 CC(M,I,K,3))-(WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
255 1 CC(M,I,K,3))-(WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
296 CH(M,I,1,K) = ((WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*
300 CH(M,IC,4,K) = ((WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*
313 1 CC(M,I,K,4))-(WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
317 1 CC(M,I,K,4))-(WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
381 1 ( WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*CC(M,I,K,2)
385 1 ( WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*CC(M,I-1,K,2)
390 1 ( WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*CC(M,I,K,2)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/fast/
H A Dvsint.orig.f191 CH(M,IC,2,K) = (WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*
252 1 CC(M,I,K,3))-(WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
255 1 CC(M,I,K,3))-(WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
296 CH(M,I,1,K) = ((WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*
300 CH(M,IC,4,K) = ((WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*
313 1 CC(M,I,K,4))-(WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
317 1 CC(M,I,K,4))-(WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*
381 1 ( WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*CC(M,I,K,2)
385 1 ( WA1(I-2)*CC(M,I,K,2)-WA1(I-1)*CC(M,I-1,K,2)
390 1 ( WA1(I-2)*CC(M,I-1,K,2)+WA1(I-1)*CC(M,I,K,2)
[all …]

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