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/dports/biology/wise/wise2.4.1/src/HMMer2/
H A Dcore_algorithms.c70 mx->xmx[i] = mx->xmx[0] + (i*5); in AllocPlan7Matrix()
76 if (xmx != NULL) *xmx = mx->xmx; in AllocPlan7Matrix()
212 xmx[0][XME] = xmx[0][XMC] = xmx[0][XMJ] = -INFTY; /* need seq to get here */ in P7Forward()
305 xmx[0][XME] = xmx[0][XMC] = xmx[0][XMJ] = -INFTY; /* need seq to get here */ in P7Viterbi()
431 xmx = mx->xmx; in P7ViterbiTrace()
863 xmx[0][XME] = xmx[0][XMC] = xmx[0][XMJ] = -INFTY; /* need seq to get here */ in P7ParsingViterbi()
1273 xmx[0][XME] = xmx[0][XMC] = xmx[0][XMJ] = -INFTY; /* need seq to get here */ in Plan7ESTViterbi()
1282 xmx[0][XME] = xmx[0][XMC] = xmx[0][XMJ] = -INFTY; /* need 2 nt to get here */ in Plan7ESTViterbi()
1462 xmx[cur][XMN] = xmx[cur][XMB] = -INFTY; in get_wee_midpt()
1463 xmx[cur][XME] = xmx[cur][XMC] = -INFTY; in get_wee_midpt()
[all …]
/dports/biology/ugene/ugene-40.1/src/plugins_3rdparty/hmm2/src/hmmer2/
H A Dfast_algorithms.cpp62 int **xmx; in P7Viterbi() local
87 xmx[0][XME] = xmx[0][XMC] = xmx[0][XMJ] = -INFTY; /* need seq to get here */ in P7Viterbi()
147 xmx[i][XMN] = -INFTY; in P7Viterbi()
149 xmx[i][XMN] = sc; in P7Viterbi()
157 xmx[i][XME] = xme; in P7Viterbi()
159 xmx[i][XMJ] = -INFTY; in P7Viterbi()
161 xmx[i][XMJ] = sc; in P7Viterbi()
162 if ((sc = xmx[i][XME] + hmm->xsc[XTE][LOOP]) > xmx[i][XMJ]) in P7Viterbi()
163 xmx[i][XMJ] = sc; in P7Viterbi()
169 if ((sc = xmx[i][XMJ] + hmm->xsc[XTJ][MOVE]) > xmx[i][XMB]) in P7Viterbi()
[all …]
H A Dcore_algorithms.cpp82 mx->xmx[i] = mx->xmx[0] + (i*5); in CreatePlan7Matrix()
167 mx->xmx[i] = mx->xmx[0] + (i*5); in ResizePlan7Matrix()
174 if (xmx != NULL) *xmx = mx->xmx; in ResizePlan7Matrix()
206 if (xmx != NULL) *xmx = mx->xmx; in AllocPlan7Matrix()
475 xmx[0][XME] = xmx[0][XMC] = xmx[0][XMJ] = -INFTY; /* need seq to get here */ in P7Forward()
577 xmx[0][XME] = xmx[0][XMC] = xmx[0][XMJ] = -INFTY; /* need seq to get here */ in P7Viterbi()
702 xmx = mx->xmx; in P7ViterbiTrace()
1155 xmx[0][XME] = xmx[0][XMC] = xmx[0][XMJ] = -INFTY; /* need seq to get here */ in P7ParsingViterbi()
1572 xmx[0][XME] = xmx[0][XMC] = xmx[0][XMJ] = -INFTY; /* need seq to get here */ in Plan7ESTViterbi()
1761 xmx[cur][XMN] = xmx[cur][XMB] = -INFTY; in get_wee_midpt()
[all …]
H A Daltivec_algorithms.cpp367 mx->xmx[i] = mx->xmx[0] + i*(5+11) ; /* add 11 bytes per row, making it divisible by 4 */ in CreatePlan7Matrix()
405 mx->xmx[i] = mx->xmx[0] + i*(5+11) ; /* add 11 bytes per row, making it divisible by 4 */ in CreatePlan7MatrixHP()
455 if (xmx != NULL) *xmx = mx->xmx; in ResizePlan7Matrix()
465 mx->xmx = (int **) ReallocOrDie (mx->xmx, sizeof(int *) * (mx->maxN+1)); in ResizePlan7Matrix()
496 if (xmx != NULL) *xmx = mx->xmx; in ResizePlan7Matrix()
533 int **xmx; in P7Viterbi() local
604 xmx[0][XME] = xmx[0][XMC] = xmx[0][XMJ] = -INFTY; /* need seq to get here */ in P7Viterbi()
609 xmxi=xmx[0]; in P7Viterbi()
650 xmxi=xmx[i]; in P7Viterbi()
1108 xmx[i][XMN] = -INFTY; in P7Viterbi()
[all …]
/dports/biology/infernal/infernal-1.1.3/hmmer/src/impl_sse/
H A Ddecoding.c97 pp->xmx[p7X_E] = 0.0; in p7_Decoding()
98 pp->xmx[p7X_N] = 0.0; in p7_Decoding()
99 pp->xmx[p7X_J] = 0.0; in p7_Decoding()
100 pp->xmx[p7X_C] = 0.0; in p7_Decoding()
101 pp->xmx[p7X_B] = 0.0; in p7_Decoding()
126 pp->xmx[i*p7X_NXCELLS+p7X_E] = 0.0; in p7_Decoding()
127 …pp->xmx[i*p7X_NXCELLS+p7X_N] = oxf->xmx[(i-1)*p7X_NXCELLS+p7X_N] * oxb->xmx[i*p7X_NXCELLS+p7X_N] *… in p7_Decoding()
128 …pp->xmx[i*p7X_NXCELLS+p7X_J] = oxf->xmx[(i-1)*p7X_NXCELLS+p7X_J] * oxb->xmx[i*p7X_NXCELLS+p7X_J] *… in p7_Decoding()
129 …pp->xmx[i*p7X_NXCELLS+p7X_C] = oxf->xmx[(i-1)*p7X_NXCELLS+p7X_C] * oxb->xmx[i*p7X_NXCELLS+p7X_C] *… in p7_Decoding()
174 …(oxf->xmx[(i-1)*p7X_NXCELLS+p7X_B] * oxb->xmx[(i-1)*p7X_NXCELLS+p7X_B] * oxf->xmx[(i-1)*p7X_NXCELL… in p7_DomainDecoding()
[all …]
H A Dfwdback.c281 xE = ox->xmx[p7X_E] = 0.; in forward_engine()
282 xN = ox->xmx[p7X_N] = 1.; in forward_engine()
287 ox->xmx[p7X_SCALE] = 1.0; in forward_engine()
549 bck->xmx[L*p7X_NXCELLS+p7X_SCALE] = fwd->xmx[L*p7X_NXCELLS+p7X_SCALE]; in backward_engine()
713 bck->xmx[p7X_B] = xB; in backward_engine()
714 bck->xmx[p7X_C] = 0.0; in backward_engine()
715 bck->xmx[p7X_J] = 0.0; in backward_engine()
716 bck->xmx[p7X_N] = xN; in backward_engine()
717 bck->xmx[p7X_E] = 0.0; in backward_engine()
718 bck->xmx[p7X_SCALE] = 1.0; in backward_engine()
[all …]
/dports/biology/infernal/infernal-1.1.3/hmmer/src/impl_vmx/
H A Ddecoding.c99 pp->xmx[p7X_E] = 0.0; in p7_Decoding()
100 pp->xmx[p7X_N] = 0.0; in p7_Decoding()
101 pp->xmx[p7X_J] = 0.0; in p7_Decoding()
102 pp->xmx[p7X_C] = 0.0; in p7_Decoding()
103 pp->xmx[p7X_B] = 0.0; in p7_Decoding()
129 pp->xmx[i*p7X_NXCELLS+p7X_E] = 0.0; in p7_Decoding()
130 …pp->xmx[i*p7X_NXCELLS+p7X_N] = oxf->xmx[(i-1)*p7X_NXCELLS+p7X_N] * oxb->xmx[i*p7X_NXCELLS+p7X_N] *… in p7_Decoding()
131 …pp->xmx[i*p7X_NXCELLS+p7X_J] = oxf->xmx[(i-1)*p7X_NXCELLS+p7X_J] * oxb->xmx[i*p7X_NXCELLS+p7X_J] *… in p7_Decoding()
132 …pp->xmx[i*p7X_NXCELLS+p7X_C] = oxf->xmx[(i-1)*p7X_NXCELLS+p7X_C] * oxb->xmx[i*p7X_NXCELLS+p7X_C] *… in p7_Decoding()
177 …(oxf->xmx[(i-1)*p7X_NXCELLS+p7X_B] * oxb->xmx[(i-1)*p7X_NXCELLS+p7X_B] * oxf->xmx[(i-1)*p7X_NXCELL… in p7_DomainDecoding()
[all …]
H A Dfwdback.c282 xE = ox->xmx[p7X_E] = 0.; in forward_engine()
283 xN = ox->xmx[p7X_N] = 1.; in forward_engine()
288 ox->xmx[p7X_SCALE] = 1.0; in forward_engine()
550 bck->xmx[L*p7X_NXCELLS+p7X_SCALE] = fwd->xmx[L*p7X_NXCELLS+p7X_SCALE]; in backward_engine()
712 bck->xmx[p7X_B] = xB; in backward_engine()
713 bck->xmx[p7X_C] = 0.0; in backward_engine()
714 bck->xmx[p7X_J] = 0.0; in backward_engine()
715 bck->xmx[p7X_N] = xN; in backward_engine()
716 bck->xmx[p7X_E] = 0.0; in backward_engine()
717 bck->xmx[p7X_SCALE] = 1.0; in backward_engine()
[all …]
/dports/biology/hmmer/hmmer-3.3/src/impl_sse/
H A Ddecoding.c97 pp->xmx[p7X_E] = 0.0; in p7_Decoding()
98 pp->xmx[p7X_N] = 0.0; in p7_Decoding()
99 pp->xmx[p7X_J] = 0.0; in p7_Decoding()
100 pp->xmx[p7X_C] = 0.0; in p7_Decoding()
101 pp->xmx[p7X_B] = 0.0; in p7_Decoding()
126 pp->xmx[i*p7X_NXCELLS+p7X_E] = 0.0; in p7_Decoding()
127 …pp->xmx[i*p7X_NXCELLS+p7X_N] = oxf->xmx[(i-1)*p7X_NXCELLS+p7X_N] * oxb->xmx[i*p7X_NXCELLS+p7X_N] *… in p7_Decoding()
128 …pp->xmx[i*p7X_NXCELLS+p7X_J] = oxf->xmx[(i-1)*p7X_NXCELLS+p7X_J] * oxb->xmx[i*p7X_NXCELLS+p7X_J] *… in p7_Decoding()
129 …pp->xmx[i*p7X_NXCELLS+p7X_C] = oxf->xmx[(i-1)*p7X_NXCELLS+p7X_C] * oxb->xmx[i*p7X_NXCELLS+p7X_C] *… in p7_Decoding()
174 …(oxf->xmx[(i-1)*p7X_NXCELLS+p7X_B] * oxb->xmx[(i-1)*p7X_NXCELLS+p7X_B] * oxf->xmx[(i-1)*p7X_NXCELL… in p7_DomainDecoding()
[all …]
H A Dfwdback.c281 xE = ox->xmx[p7X_E] = 0.; in forward_engine()
282 xN = ox->xmx[p7X_N] = 1.; in forward_engine()
287 ox->xmx[p7X_SCALE] = 1.0; in forward_engine()
549 bck->xmx[L*p7X_NXCELLS+p7X_SCALE] = fwd->xmx[L*p7X_NXCELLS+p7X_SCALE]; in backward_engine()
713 bck->xmx[p7X_B] = xB; in backward_engine()
714 bck->xmx[p7X_C] = 0.0; in backward_engine()
715 bck->xmx[p7X_J] = 0.0; in backward_engine()
716 bck->xmx[p7X_N] = xN; in backward_engine()
717 bck->xmx[p7X_E] = 0.0; in backward_engine()
718 bck->xmx[p7X_SCALE] = 1.0; in backward_engine()
[all …]
/dports/biology/hmmer/hmmer-3.3/src/impl_vmx/
H A Ddecoding.c99 pp->xmx[p7X_E] = 0.0; in p7_Decoding()
100 pp->xmx[p7X_N] = 0.0; in p7_Decoding()
101 pp->xmx[p7X_J] = 0.0; in p7_Decoding()
102 pp->xmx[p7X_C] = 0.0; in p7_Decoding()
103 pp->xmx[p7X_B] = 0.0; in p7_Decoding()
129 pp->xmx[i*p7X_NXCELLS+p7X_E] = 0.0; in p7_Decoding()
130 …pp->xmx[i*p7X_NXCELLS+p7X_N] = oxf->xmx[(i-1)*p7X_NXCELLS+p7X_N] * oxb->xmx[i*p7X_NXCELLS+p7X_N] *… in p7_Decoding()
131 …pp->xmx[i*p7X_NXCELLS+p7X_J] = oxf->xmx[(i-1)*p7X_NXCELLS+p7X_J] * oxb->xmx[i*p7X_NXCELLS+p7X_J] *… in p7_Decoding()
132 …pp->xmx[i*p7X_NXCELLS+p7X_C] = oxf->xmx[(i-1)*p7X_NXCELLS+p7X_C] * oxb->xmx[i*p7X_NXCELLS+p7X_C] *… in p7_Decoding()
177 …(oxf->xmx[(i-1)*p7X_NXCELLS+p7X_B] * oxb->xmx[(i-1)*p7X_NXCELLS+p7X_B] * oxf->xmx[(i-1)*p7X_NXCELL… in p7_DomainDecoding()
[all …]
H A Dfwdback.c282 xE = ox->xmx[p7X_E] = 0.; in forward_engine()
283 xN = ox->xmx[p7X_N] = 1.; in forward_engine()
288 ox->xmx[p7X_SCALE] = 1.0; in forward_engine()
550 bck->xmx[L*p7X_NXCELLS+p7X_SCALE] = fwd->xmx[L*p7X_NXCELLS+p7X_SCALE]; in backward_engine()
712 bck->xmx[p7X_B] = xB; in backward_engine()
713 bck->xmx[p7X_C] = 0.0; in backward_engine()
714 bck->xmx[p7X_J] = 0.0; in backward_engine()
715 bck->xmx[p7X_N] = xN; in backward_engine()
716 bck->xmx[p7X_E] = 0.0; in backward_engine()
717 bck->xmx[p7X_SCALE] = 1.0; in backward_engine()
[all …]
/dports/biology/infernal/infernal-1.1.3/hmmer/src/
H A Dgeneric_decoding.c80 float *xmx = pp->xmx; in p7_GDecoding() local
84 float overall_sc = fwd->xmx[p7G_NXCELLS*L + p7G_C] + gm->xsc[p7P_C][p7P_MOVE]; in p7_GDecoding()
114 …XMX(i,p7G_N) = expf(fwd->xmx[p7G_NXCELLS*(i-1) + p7G_N] + bck->xmx[p7G_NXCELLS*i + p7G_N] + gm->xs… in p7_GDecoding()
115 …XMX(i,p7G_J) = expf(fwd->xmx[p7G_NXCELLS*(i-1) + p7G_J] + bck->xmx[p7G_NXCELLS*i + p7G_J] + gm->xs… in p7_GDecoding()
117 …XMX(i,p7G_C) = expf(fwd->xmx[p7G_NXCELLS*(i-1) + p7G_C] + bck->xmx[p7G_NXCELLS*i + p7G_C] + gm->xs… in p7_GDecoding()
211 float overall_logp = fwd->xmx[p7G_NXCELLS*L + p7G_C] + gm->xsc[p7P_C][p7P_MOVE]; in p7_GDomainDecoding()
217 …ddef->btot[i] = ddef->btot[i-1] + exp(fwd->xmx[(i-1)*p7G_NXCELLS+p7G_B] + bck->xmx[(i-1)*p7G_NXCEL… in p7_GDomainDecoding()
218 …ddef->etot[i] = ddef->etot[i-1] + exp(fwd->xmx[i *p7G_NXCELLS+p7G_E] + bck->xmx[i *p7G_NXCEL… in p7_GDomainDecoding()
220 …njcp = expf(fwd->xmx[p7G_NXCELLS*(i-1) + p7G_N] + bck->xmx[p7G_NXCELLS*i + p7G_N] + gm->xsc[p7P_N… in p7_GDomainDecoding()
221 …njcp += expf(fwd->xmx[p7G_NXCELLS*(i-1) + p7G_J] + bck->xmx[p7G_NXCELLS*i + p7G_J] + gm->xsc[p7P_J… in p7_GDomainDecoding()
[all …]
H A Dgeneric_null2.c26 #define XMX(i,s) (xmx[(i) * p7G_NXCELLS + (s)])
70 float *xmx = pp->xmx; in p7_GNull2_ByExpectation() local
81 esl_vec_FCopy(pp->xmx+p7G_NXCELLS, p7G_NXCELLS, pp->xmx); in p7_GNull2_ByExpectation()
85 esl_vec_FAdd(pp->xmx, pp->xmx+i*p7G_NXCELLS, p7G_NXCELLS); in p7_GNull2_ByExpectation()
92 esl_vec_FLog(pp->xmx, p7G_NXCELLS); in p7_GNull2_ByExpectation()
95 esl_vec_FIncrement(pp->xmx, p7G_NXCELLS, -log((float)Ld)); in p7_GNull2_ByExpectation()
165 float *xmx = wrk->xmx; /* so that XMX() macro works */ in p7_GNull2_ByTrace() local
175 esl_vec_FSet(wrk->xmx, p7G_NXCELLS, 0.0); in p7_GNull2_ByTrace()
189 esl_vec_FScale(wrk->xmx, p7G_NXCELLS, (1.0 / (float) Ld)); in p7_GNull2_ByTrace()
/dports/biology/hmmer/hmmer-3.3/src/
H A Dgeneric_decoding.c80 float *xmx = pp->xmx; in p7_GDecoding() local
84 float overall_sc = fwd->xmx[p7G_NXCELLS*L + p7G_C] + gm->xsc[p7P_C][p7P_MOVE]; in p7_GDecoding()
114 …XMX(i,p7G_N) = expf(fwd->xmx[p7G_NXCELLS*(i-1) + p7G_N] + bck->xmx[p7G_NXCELLS*i + p7G_N] + gm->xs… in p7_GDecoding()
115 …XMX(i,p7G_J) = expf(fwd->xmx[p7G_NXCELLS*(i-1) + p7G_J] + bck->xmx[p7G_NXCELLS*i + p7G_J] + gm->xs… in p7_GDecoding()
117 …XMX(i,p7G_C) = expf(fwd->xmx[p7G_NXCELLS*(i-1) + p7G_C] + bck->xmx[p7G_NXCELLS*i + p7G_C] + gm->xs… in p7_GDecoding()
211 float overall_logp = fwd->xmx[p7G_NXCELLS*L + p7G_C] + gm->xsc[p7P_C][p7P_MOVE]; in p7_GDomainDecoding()
217 …ddef->btot[i] = ddef->btot[i-1] + exp(fwd->xmx[(i-1)*p7G_NXCELLS+p7G_B] + bck->xmx[(i-1)*p7G_NXCEL… in p7_GDomainDecoding()
218 …ddef->etot[i] = ddef->etot[i-1] + exp(fwd->xmx[i *p7G_NXCELLS+p7G_E] + bck->xmx[i *p7G_NXCEL… in p7_GDomainDecoding()
220 …njcp = expf(fwd->xmx[p7G_NXCELLS*(i-1) + p7G_N] + bck->xmx[p7G_NXCELLS*i + p7G_N] + gm->xsc[p7P_N… in p7_GDomainDecoding()
221 …njcp += expf(fwd->xmx[p7G_NXCELLS*(i-1) + p7G_J] + bck->xmx[p7G_NXCELLS*i + p7G_J] + gm->xsc[p7P_J… in p7_GDomainDecoding()
[all …]
/dports/cad/feappv/feappv-4.1i/program/
H A Dpdiff.f29 real*8 pdiff, xmx, xmn, x(ndm,numnp) local
45 110 xmx = x(i,n)
49 xmx = max(xmx,x(i,n))
54 pdiff = xmx - xmn
H A Dtienod.f56 real*8 xmd(3), xmx(3), xmn(3), xtol(3)
83 xmx(i) = max(xmx(i),x(i,j))
88 xmx(i) = x(i,j)
96 tol(i) = (xmx(i) - xmn(i))*snx
98 xmx(i) = xmx(i) + tol(i)
119 xmd(i) = max(tol(i),(xmx(i)-xmn(i))/max(1.d0,dble(nsize(i))))
209 xtol(3) = max( xmn(3),min( xtol(3),xmx(3) ) )
215 xtol(2) = max( xmn(2),min( xtol(2),xmx(2) ) )
220 xtol(1) = max( xmn(1),min( xtol(1),xmx(1) ) )
/dports/comms/limesuite/LimeSuite-20.10.0/src/GFIR/
H A Drounding.c121 void print_cses_code(xpx, xmx, x, n, cprec) in print_cses_code() argument
122 int **xpx, **xmx, **x, n, cprec; in print_cses_code()
131 (csd2int(cprec, xmx[0]) == csd2int(cprec,xmx[n-1])) &&
137 ixmx = csd2int(cprec, xmx[i]);
162 if(xmx[i][j] == 1) {
164 } else if(xmx[i][j] == -1) {
260 void csesh(code, n, cprec, xpx, xmx, x ) in csesh() argument
262 int **code, **xpx, **xmx, **x;
270 xmx[i][k] = 0;
301 xmx[i][k] = 1;
[all …]
/dports/math/ccmath/ccmath-2.2.1/sfunc/test/
H A Dtjbes.c25 { double x,dx,f,v,xmx; in main() local
31 scanf("%lf %lf",&xmx,&dx); xmx+=dx/4.; in main()
32 for(x=0.; x<xmx ; x+=dx){ in main()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/diana/
H A Ddia_torsion.F14 real*8 xmx,xmy,xmz,xnx,xny,xnz,rm2i,rn2i,rmni,cphi,s,phi local
73 xmx=xijy*xkjz-xkjy*xijz
79 rm2i=1.0d0/(xmx*xmx+xmy*xmy+xmz*xmz)
82 cphi=(xmx*xnx+xmy*xny+xmz*xnz)*rmni
86 s=xkjx*(xmy*xnz-xmz*xny) +xkjy*(xmz*xnx-xmx*xnz)
87 + +xkjz*(xmx*xny-xmy*xnx)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/
H A Dargos_diana_torsion.F15 real*8 xmx,xmy,xmz,xnx,xny,xnz,rm2i,rn2i,rmni,cphi,s,phi
74 xmx=xijy*xkjz-xkjy*xijz
80 rm2i=1.0d0/(xmx*xmx+xmy*xmy+xmz*xmz)
83 cphi=(xmx*xnx+xmy*xny+xmz*xnz)*rmni
87 s=xkjx*(xmy*xnz-xmz*xny) +xkjy*(xmz*xnx-xmx*xnz)
88 + +xkjz*(xmx*xny-xmy*xnx)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/analyz/
H A Dana_torsion.F13 real*8 xmx,xmy,xmz,xnx,xny,xnz,rm2i,rn2i,rmni,cphi,s,phi
72 xmx=xijy*xkjz-xkjy*xijz
78 rm2i=1.0d0/(xmx*xmx+xmy*xmy+xmz*xmz)
81 cphi=(xmx*xnx+xmy*xny+xmz*xnz)*rmni
85 s=xkjx*(xmy*xnz-xmz*xny) +xkjy*(xmz*xnx-xmx*xnz)
86 + +xkjz*(xmx*xny-xmy*xnx)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/diana/
H A Ddia_torsion.F14 real*8 xmx,xmy,xmz,xnx,xny,xnz,rm2i,rn2i,rmni,cphi,s,phi
73 xmx=xijy*xkjz-xkjy*xijz
79 rm2i=1.0d0/(xmx*xmx+xmy*xmy+xmz*xmz)
82 cphi=(xmx*xnx+xmy*xny+xmz*xnz)*rmni
86 s=xkjx*(xmy*xnz-xmz*xny) +xkjy*(xmz*xnx-xmx*xnz)
87 + +xkjz*(xmx*xny-xmy*xnx)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/
H A Dargos_diana_torsion.F15 real*8 xmx,xmy,xmz,xnx,xny,xnz,rm2i,rn2i,rmni,cphi,s,phi
74 xmx=xijy*xkjz-xkjy*xijz
80 rm2i=1.0d0/(xmx*xmx+xmy*xmy+xmz*xmz)
83 cphi=(xmx*xnx+xmy*xny+xmz*xnz)*rmni
87 s=xkjx*(xmy*xnz-xmz*xny) +xkjy*(xmz*xnx-xmx*xnz)
88 + +xkjz*(xmx*xny-xmy*xnx)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/analyz/
H A Dana_torsion.F13 real*8 xmx,xmy,xmz,xnx,xny,xnz,rm2i,rn2i,rmni,cphi,s,phi local
72 xmx=xijy*xkjz-xkjy*xijz
78 rm2i=1.0d0/(xmx*xmx+xmy*xmy+xmz*xmz)
81 cphi=(xmx*xnx+xmy*xny+xmz*xnz)*rmni
85 s=xkjx*(xmy*xnz-xmz*xny) +xkjy*(xmz*xnx-xmx*xnz)
86 + +xkjz*(xmx*xny-xmy*xnx)

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