Home
last modified time | relevance | path

Searched refs:jel (Results 1 – 25 of 1276) sorted by relevance

12345678910>>...52

/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/Fermion/
H A DBackflow_eI.h242 for (int jel = 0; jel < P.getTotalNum(); jel++) in evaluate() local
252 QP.R[jel] += (UIJ(jel, iat) = -uij * displ[iat]); in evaluate()
258 Amat(jel, jel) += hess; in evaluate()
261 Bmat_full(jel, jel) += (BIJ(jel, iat) = -(d2u + 4.0 * du) * displ[iat]); in evaluate()
435 for (int jel = 0; jel < P.getTotalNum(); jel++) in evaluateWithDerivatives() local
448 QP.R[jel] += (UIJ(jel, iat) = -uij * displ[iat]); in evaluateWithDerivatives()
455 Amat(jel, jel) += hess; in evaluateWithDerivatives()
456 Bmat_full(jel, jel) += (BIJ(jel, iat) = -(d2u + 4.0 * du) * displ[iat]); in evaluateWithDerivatives()
461 Xmat(la, jel, jel)[0] += derivsju[prm][0]; in evaluateWithDerivatives()
462 Xmat(la, jel, jel)[4] += derivsju[prm][0]; in evaluateWithDerivatives()
[all …]
/dports/biology/molden/molden5.8/
H A Dzread.f12 character * 2 iel,jel
62 read(string,2110,err=200) icard,icent,jel
64 read(string,2111,err=200) icard,icent,jel
68 if ( jel .eq. iel(i) ) ianz(1) = i - 1
86 if ( jel .eq. iel(i) ) ianz(2) = i - 1
101 & icard,icent,jel,iz(1,3),pbl,np1,iz(2,3),pa,np2
108 if ( jel .eq. iel(i) ) ianz(3) = i - 1
132 if ( jel .eq. iel(i) ) ianz(nz) = i - 1
158 character *2 iel,jel
209 read(string,2110,err=200) icard,icent,jel
[all …]
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/
H A DNonLocalECPotential.cpp162 for (int jel = 0; jel < P.getTotalNum(); jel++) in evaluateImpl() local
171 for (int jel = P.first(ig); jel < P.last(ig); ++jel) in evaluateImpl() local
194 for (int jel = P.first(ig); jel < P.last(ig); ++jel) in evaluateImpl() local
210 Ve_samp(jel) += 0.5 * pairpot; in evaluateImpl()
272 for (int jel = 0; jel < P.getTotalNum(); jel++) in mw_evaluateImpl() local
283 for (int jel = P.first(ig); jel < P.last(ig); ++jel) in mw_evaluateImpl() local
293 joblist.emplace_back(iat, jel, P.R[jel], dist[iat], -displ[iat]); in mw_evaluateImpl()
414 for (int jel = 0; jel < P.getTotalNum(); jel++) in evaluateWithIonDerivs() local
420 for (int jel = P.first(ig); jel < P.last(ig); ++jel) in evaluateWithIonDerivs() local
431 PP[iat]->contributeTxy(jel, Txy); in evaluateWithIonDerivs()
[all …]
H A DSOECPotential.cpp45 for (int jel = 0; jel < P.getTotalNum(); jel++) in evaluate() local
46 ElecNeighborIons.getNeighborList(jel).clear(); in evaluate()
48 for (int jel = 0; jel < P.getTotalNum(); jel++) in evaluate() local
50 const auto& dist = myTable.getDistRow(jel); in evaluate()
51 const auto& displ = myTable.getDisplRow(jel); in evaluate()
52 std::vector<int>& NeighborIons = ElecNeighborIons.getNeighborList(jel); in evaluate()
56 RealType pairpot = PP[iat]->evaluateOne(P, iat, Psi, jel, dist[iat], -displ[iat]); in evaluate()
59 IonNeighborElecs.getNeighborList(iat).push_back(jel); in evaluate()
H A DNonLocalECPotential.deriv.cpp31 for (int jel = 0; jel < P.getTotalNum(); jel++) in evaluateValueAndDerivatives() local
33 const auto& dist = myTable.getDistRow(jel); in evaluateValueAndDerivatives()
34 const auto& displ = myTable.getDisplRow(jel); in evaluateValueAndDerivatives()
37 …Value += PP[iat]->evaluateValueAndDerivatives(P, iat, Psi, jel, dist[iat], -displ[iat], optvars, d… in evaluateValueAndDerivatives()
/dports/accessibility/py-speech-dispatcher/speech-dispatcher-0.10.2/locale/hu/
H A Dorca.dic10 ¡ fordított felkiáltójel some
11 ¤ pénznem jel all
15 ­ lágy kötőjel most
25 ¿ fordított kérdőjel some
27 ‚ idézőjel most
28 „ idézőjel most
36 ⁃ kötőjel listajel none
48 ⁽ felső index bal zárójel none
49 ⁾ felső index jobb zárójel none
64 ₍ alsó index bal zárójel none
[all …]
H A Dsymbols.dic47 ! felkiáltójel all
59 ( balzárójel most always
60 ) jobbzárójel most always
72 ? kérdőjel all
90 “ bal idézőjel most
91 ” jobb idézőjel most
95 — kötőjel most
107 « dupla bal idézőjel some
108 » dupla jobb idézőjel some
123 ✓ jelölés some
[all …]
/dports/accessibility/speech-dispatcher/speech-dispatcher-0.10.2/locale/hu/
H A Dorca.dic10 ¡ fordított felkiáltójel some
11 ¤ pénznem jel all
15 ­ lágy kötőjel most
25 ¿ fordított kérdőjel some
27 ‚ idézőjel most
28 „ idézőjel most
36 ⁃ kötőjel listajel none
48 ⁽ felső index bal zárójel none
49 ⁾ felső index jobb zárójel none
64 ₍ alsó index bal zárójel none
[all …]
H A Dsymbols.dic47 ! felkiáltójel all
59 ( balzárójel most always
60 ) jobbzárójel most always
72 ? kérdőjel all
90 “ bal idézőjel most
91 ” jobb idézőjel most
95 — kötőjel most
107 « dupla bal idézőjel some
108 » dupla jobb idézőjel some
123 ✓ jelölés some
[all …]
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/tests/
H A Dtest_ecp.cpp308 for (int jel = 0; jel < elec.getTotalNum(); jel++) variable
310 const auto& dist = myTable.getDistRow(jel);
311 const auto& displ = myTable.getDisplRow(jel);
344 for (int jel = 0; jel < elec.getTotalNum(); jel++) variable
346 const auto& dist = myTable.getDistRow(jel);
347 const auto& displ = myTable.getDisplRow(jel);
371 for (int jel = 0; jel < elec.getTotalNum(); jel++) variable
373 const auto& dist = myTable.getDistRow(jel);
374 const auto& displ = myTable.getDisplRow(jel);
554 for (int jel = 0; jel < elec.getTotalNum(); jel++) variable
[all …]
/dports/java/eclipse/eclipse.platform.releng.aggregator-R4_16/eclipse.jdt.ui/org.eclipse.jdt.ui/ui/org/eclipse/jdt/internal/ui/search/
H A DOccurrencesSearchLabelProvider.java49 JavaElementLine jel= (JavaElementLine) element; in internalGetText() local
50 return getLineNumberLabel(jel) + jel.getLineContents(); in internalGetText()
54 JavaElementLine jel= (JavaElementLine) element; in internalGetRichText() local
56 String lineNumberString= getLineNumberLabel(jel); in internalGetRichText()
62 res.append(jel.getLineContents()); in internalGetRichText()
63 for (Match match : getPage().getInput().getMatches(jel)) { in internalGetRichText()
65 int offset= curr.getOriginalOffset() - jel.getLineStartOffset() + lineNumberString.length(); in internalGetRichText()
H A DOccurrencesSearchResult.java58 JavaElementLine jel= (JavaElementLine) elements[0]; in computeContainedMatches()
59 if (file.equals(jel.getJavaElement().getResource())) in computeContainedMatches()
83 JavaElementLine jel= (JavaElementLine) elements[0]; in computeContainedMatches()
84 if (jel.getJavaElement().equals(classFile)) in computeContainedMatches()
95 JavaElementLine jel= (JavaElementLine) element; in getFile() local
98 resource= jel.getJavaElement().getCorrespondingResource(); in getFile()
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/Jastrow/
H A DJeeIOrbitalSoA.h399 for (int jel = P.first(jg); jel < P.last(jg); jel++) in build_compact_list() local
494 for (int jel = 0; jel < Nelec; jel++) variable
496 Uat[jel] += newUk[jel] - oldUk[jel];
497 d2Uat[jel] += newd2Uk[jel] - oldd2Uk[jel];
505 for (int jel = 0; jel < Nelec; jel++) variable
506 save_g[jel] += new_g[jel] - old_g[jel];
577 for (int jel = 0; jel < Nelec; ++jel) in recompute() local
579 … computeU3(P, jel, eI_table.getDistRow(jel), eI_table.getDisplRow(jel), ee_table.getDistRow(jel), in recompute()
580 …ee_table.getDisplRow(jel), Uat[jel], dUat_temp, d2Uat[jel], newUk, newdUk, newd2Uk, ions_nearby_ne… in recompute()
582 dUat(jel) = dUat_temp; in recompute()
[all …]
/dports/cad/feappv/feappv-4.1i/program/
H A Delmlib.f2 subroutine elmlib(d,u,x,ix,t,s,p,i,j,k,jel,isw) argument
35 integer i,j,k,jel,isw local
46 if(jel.gt.0) then
48 go to ( 1, 2, 3, 4, 5, 6, 7, 8, 9,10,11,12,13,14,15), jel
86 go to(101,102,103,104,105,106,107,108,109), -jel
121 go to(201,202,203,204,205,206,207,208,209), -jel
156 go to(301,302,303,304,305,306,307,308,309), -jel
196 400 if(ior.gt.0) write(iow,4000) n,jel
197 if(ior.lt.0) write( *,4000) n,jel
/dports/cad/z88/Z88OS-15/src/z88n/common/
H A Dmc388n.c106 FR_DOUBLE cphh88(char cmode,FR_INT4 jel);
132 extern FR_INT4AY jel; in mc388n()
181 jmax= jel[iss]*2+1; in mc388n()
184 xinc= cphh88(cjmode[iss],jel[iss]); in mc388n()
193 ioffss[iss]= ioffss[iss-1] + (jel[iss-1]*2+1)*(iel[iss-1]*2+1); in mc388n()
253 jmax= jel[iss]*2 + 1; in mc388n()
368 ne= ne + jel[i]*iel[i]; in mc388n()
434 jmax= jel[iss]*2+1; in mc388n()
437 for(je = 1;je <= jel[iss];je++) in mc388n()
H A Dmc488n.c103 FR_DOUBLE cphh88(char cmode,FR_INT4 jel);
129 extern FR_INT4AY jel; in mc488n()
178 jmax= jel[iss]*2+1; in mc488n()
181 xinc= cphh88(cjmode[iss],jel[iss]); in mc488n()
190 ioffss[iss]= ioffss[iss-1] + (jel[iss-1]*2+1)*(iel[iss-1]*2+1); in mc488n()
250 jmax= jel[iss]*2 + 1; in mc488n()
365 ne= ne + jel[i]*iel[i]; in mc488n()
431 jmax= jel[iss]*2+1; in mc488n()
434 for(je = 1;je <= jel[iss];je++) in mc488n()
H A Dmc888n.c106 FR_DOUBLE cphh88(char cmode,FR_INT4 jel);
132 extern FR_INT4AY jel; in mc888n()
181 jmax= jel[iss]*2+1; in mc888n()
184 xinc= cphh88(cjmode[iss],jel[iss]); in mc888n()
193 ioffss[iss]= ioffss[iss-1] + (jel[iss-1]*2+1)*(iel[iss-1]*2+1); in mc888n()
253 jmax= jel[iss]*2 + 1; in mc888n()
368 ne= ne + jel[i]*iel[i]; in mc888n()
434 jmax= jel[iss]*2+1; in mc888n()
437 for(je = 1;je <= jel[iss];je++) in mc888n()
H A Dmc588n.c103 FR_DOUBLE cpkl88(char cmode,FR_INT4 jel);
129 extern FR_INT4AY jel; in mc588n()
178 jmax= jel[iss]*3+1; in mc588n()
181 xinc= cpkl88(cjmode[iss],jel[iss]); in mc588n()
190 ioffss[iss]= ioffss[iss-1] + (jel[iss-1]*3+1)*(iel[iss-1]*3+1); in mc588n()
250 jmax= jel[iss]*3 + 1; in mc588n()
336 ne= ne + jel[i]*iel[i]; in mc588n()
402 jmax= jel[iss]*3+1; in mc588n()
405 for(je = 1;je <= jel[iss];je++) in mc588n()
H A Dmc688n.c103 FR_DOUBLE cphh88(char cmode,FR_INT4 jel);
104 FR_DOUBLE cphl88(char cmode,FR_INT4 jel);
133 extern FR_INT4AY jel; in mc688n()
186 jmax= jel[iss]*2+1; in mc688n()
190 xinc= cphh88(cjmode[iss],jel[iss]); in mc688n()
201 (jel[iss-1]*2+1)*(iel[iss-1]*2+1)*(kel[iss-1]+1); in mc688n()
269 jmax= jel[iss]*2 + 1; in mc688n()
395 ne= ne + jel[i]*iel[i]*kel[i]; in mc688n()
469 jmax= jel[iss]*2+1; in mc688n()
473 for(je = 1;je <= jel[iss];je++) in mc688n()
H A Dmc288n.c103 FR_DOUBLE cphl88(char cmode,FR_INT4 jel);
131 extern FR_INT4AY jel; in mc288n()
184 jmax= jel[iss]+1; in mc288n()
188 xinc= cphl88(cjmode[iss],jel[iss]); in mc288n()
199 (jel[iss-1]+1)*(iel[iss-1]+1)*(kel[iss-1]+1); in mc288n()
267 jmax= jel[iss] + 1; in mc288n()
363 ne= ne + jel[i]*iel[i]*kel[i]; in mc288n()
437 jmax= jel[iss]+1; in mc288n()
441 for(je = 1;je <= jel[iss];je++) in mc288n()
H A Dmc788n.c103 FR_DOUBLE cphl88(char cmode,FR_INT4 jel);
131 extern FR_INT4AY jel; in mc788n()
184 jmax= jel[iss]+1; in mc788n()
188 xinc= cphl88(cjmode[iss],jel[iss]); in mc788n()
199 (jel[iss-1]+1)*(iel[iss-1]+1)*(kel[iss-1]+1); in mc788n()
267 jmax= jel[iss] + 1; in mc788n()
363 ne= ne + jel[i]*iel[i]*kel[i]; in mc788n()
437 jmax= jel[iss]+1; in mc788n()
441 for(je = 1;je <= jel[iss];je++) in mc788n()
H A Dmc188n.c103 FR_DOUBLE cphh88(char cmode,FR_INT4 jel);
131 extern FR_INT4AY jel; in mc188n()
184 jmax= jel[iss]*2+1; in mc188n()
188 xinc= cphh88(cjmode[iss],jel[iss]); in mc188n()
199 (jel[iss-1]*2+1)*(iel[iss-1]*2+1)*(kel[iss-1]*2+1); in mc188n()
267 jmax= jel[iss]*2 + 1; in mc188n()
399 ne= ne + jel[i]*iel[i]*kel[i]; in mc188n()
473 jmax= jel[iss]*2+1; in mc188n()
477 for(je = 1;je <= jel[iss];je++) in mc188n()
H A Dsubn88.c349 FR_DOUBLE cphh88(char cmode,FR_INT4 jel) in cphh88() argument
356 xinc= 2./(jel*2); in cphh88()
358 xinc= FR_POW(3.,(1./jel)); in cphh88()
366 FR_DOUBLE cphl88(char cmode,FR_INT4 jel) in cphl88() argument
373 xinc= 2./jel; in cphl88()
375 xinc= FR_POW(3., (1./jel)); in cphl88()
383 FR_DOUBLE cpkl88(char cmode,FR_INT4 jel) in cpkl88() argument
390 xinc= 2./(jel*3.); in cpkl88()
392 xinc= FR_POW(3.,(1./(jel*3.))); in cpkl88()
/dports/science/helfem/HelFEM-21461e9/src/sadatom/
H A Dbasis.cpp288 for(size_t jel=0;jel<Nel;jel++) { in coulomb() local
290 radial.get_idx(jel,jfirst,jlast); in coulomb()
300 for(size_t iel=0;iel<jel;iel++) { in coulomb()
309 for(size_t iel=jel+1;iel<Nel;iel++) { in coulomb()
319 size_t iel=jel; in coulomb()
451 for(size_t jel=0;jel<Nel;jel++) { in exchange() local
459 if(iel == jel) { in exchange()
481 … const arma::mat & jint=(iel>jel) ? disjoint_L[L*Nel+jel] : disjoint_m1L[L*Nel+jel]; in exchange()
619 for(size_t jel=0;jel<Nel;jel++) { in rs_exchange() local
627 if(!yukawa || iel == jel) { in rs_exchange()
[all …]
/dports/science/qmcpack/qmcpack-3.11.0/src/Sandbox/
H A Ddiff_distancetables.cpp129 for (int jel = iel + 1; jel < nels; ++jel) in main() local
131 RealType dsym = std::abs(d_ee.getDistRow(jel)[iel] - d_ee.getDistRow(iel)[jel]); in main()

12345678910>>...52