/dports/biology/wise/wise2.4.1/src/HMMer2/ |
H A D | core_algorithms.c | 70 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 …]
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/dports/biology/ugene/ugene-40.1/src/plugins_3rdparty/hmm2/src/hmmer2/ |
H A D | fast_algorithms.cpp | 62 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 …]
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H A D | core_algorithms.cpp | 82 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 …]
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H A D | altivec_algorithms.cpp | 367 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 …]
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/dports/biology/infernal/infernal-1.1.3/hmmer/src/impl_sse/ |
H A D | decoding.c | 97 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 …]
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H A D | fwdback.c | 281 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 …]
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/dports/biology/infernal/infernal-1.1.3/hmmer/src/impl_vmx/ |
H A D | decoding.c | 99 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 …]
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H A D | fwdback.c | 282 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 …]
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/dports/biology/hmmer/hmmer-3.3/src/impl_sse/ |
H A D | decoding.c | 97 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 …]
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H A D | fwdback.c | 281 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 …]
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/dports/biology/hmmer/hmmer-3.3/src/impl_vmx/ |
H A D | decoding.c | 99 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 …]
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H A D | fwdback.c | 282 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 …]
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/dports/biology/infernal/infernal-1.1.3/hmmer/src/ |
H A D | generic_decoding.c | 80 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 …]
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H A D | generic_null2.c | 26 #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()
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/dports/biology/hmmer/hmmer-3.3/src/ |
H A D | generic_decoding.c | 80 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 …]
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/dports/cad/feappv/feappv-4.1i/program/ |
H A D | pdiff.f | 29 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
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H A D | tienod.f | 56 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) ) )
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/dports/comms/limesuite/LimeSuite-20.10.0/src/GFIR/ |
H A D | rounding.c | 121 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 …]
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/dports/math/ccmath/ccmath-2.2.1/sfunc/test/ |
H A D | tjbes.c | 25 { 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()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/diana/ |
H A D | dia_torsion.F | 14 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)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_diana_torsion.F | 15 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)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/analyz/ |
H A D | ana_torsion.F | 13 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)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/diana/ |
H A D | dia_torsion.F | 14 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)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_diana_torsion.F | 15 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)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/analyz/ |
H A D | ana_torsion.F | 13 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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