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/dports/science/qmcpack/qmcpack-3.11.0/src/Particle/LongRange/
H A DLRHandlerSRCoulomb.h311 fillVk(breakuphandler.KList); in InitBreakup()
383 Fk.resize(KList.size()); in fillVk()
384 Fkg.resize(KList.size()); in fillVk()
389 mRealType k = KList[ki][0]; in fillVk()
397 void fillYk(KContainer& KList) in fillYk() argument
399 Fk.resize(KList.kpts_cart.size()); in fillYk()
417 void fillYkg(KContainer& KList) in fillYkg() argument
419 Fkg.resize(KList.kpts_cart.size()); in fillYkg()
423 Fk.resize(KList.kpts_cart.size()); in fillYkg()
455 void filldFk_dk(KContainer& KList) in filldFk_dk() argument
[all …]
H A DLRBreakup.h226 mRealType k2 = KList[ki][0] * KList[ki][0]; in DoGradBreakup()
305 mRealType k2 = KList[ki][0] * KList[ki][0]; in DoGradBreakup()
322 while ((ki < KList.size()) && (std::abs(k - KList[ki][0]) > 1.0e-12)) in AddKToList()
324 if (ki == KList.size()) in AddKToList()
608 mRealType k2 = KList[ki][0] * KList[ki][0]; in DoGradBreakup()
740 chi2 += KList[ki][0] * KList[ki][0] * KList[ki][1] * Yk * Yk; in DoGradBreakup()
777 mRealType k2 = KList[ki][0] * KList[ki][0]; in DoStrainBreakup()
910 chi2 += KList[ki][0] * KList[ki][0] * KList[ki][1] * Yk * Yk; in DoStrainBreakup()
971 mRealType k2 = KList[ki][0] * KList[ki][0]; in DoAllBreakup()
1239 chi2_f += KList[ki][0] * KList[ki][0] * KList[ki][1] * Yk_f * Yk_f; in DoAllBreakup()
[all …]
H A DEwaldHandler.cpp54 void EwaldHandler::fillFk(KContainer& KList) in fillFk() argument
56 Fk.resize(KList.kpts_cart.size()); in fillFk()
57 const std::vector<int>& kshell(KList.kshell); in fillFk()
68 kMag[ks] = std::sqrt(KList.ksq[ki]); in fillFk()
71 while (ki < KList.kshell[ks + 1] && ki < Fk.size()) in fillFk()
73 ksum += uk * erfc(kMag[ks] * oneovertwosigma) * (KList.kshell[ks + 1] - KList.kshell[ks]); in fillFk()
85 mRealType t2e = KList.ksq[ki] * kgauss; in fillFk()
86 mRealType uk = knorm * std::exp(-t2e) / KList.ksq[ki]; in fillFk()
88 while (ki < KList.kshell[ks + 1] && ki < Fk.size()) in fillFk()
97 mRealType t2e = KList.ksq[ki] * kgauss; in fillFk()
[all …]
H A DEwaldHandler3D.cpp54 void EwaldHandler3D::fillFk(KContainer& KList) in fillFk() argument
56 Fk.resize(KList.kpts_cart.size()); in fillFk()
57 Fkg.resize(KList.kpts_cart.size()); in fillFk()
58 const std::vector<int>& kshell(KList.kshell); in fillFk()
68 mRealType t2e = KList.ksq[ki] * kgauss; in fillFk()
69 mRealType uk = knorm * std::exp(-t2e) / KList.ksq[ki]; in fillFk()
71 while (ki < KList.kshell[ks + 1] && ki < Fk.size()) in fillFk()
H A DLRRPABFeeHandlerTemp.h225 fillXk(breakuphandler.KList); in InitBreakup()
231 void fillXk(std::vector<TinyVector<mRealType, 2>>& KList) in fillXk()
233 Fk.resize(KList.size()); in fillXk()
234 for (int ki = 0; ki < KList.size(); ki++) in fillXk()
236 mRealType k = KList[ki][0]; in fillXk()
241 void fillFk(KContainer& KList) in fillFk()
243 Fk.resize(KList.kpts_cart.size()); in fillFk()
244 const std::vector<int>& kshell(KList.kshell); in fillFk()
251 mRealType k = std::pow(KList.ksq[ki], 0.5); in fillFk()
255 while (ki < KList.kshell[ks + 1] && ki < Fk.size()) in fillFk()
H A DEwaldHandler3D.h102 void fillFk(KContainer& KList);
104 void fillYkgstrain(KContainer& KList) in fillYkgstrain() argument
106 Fkgstrain.resize(KList.kpts_cart.size()); in fillYkgstrain()
107 const std::vector<int>& kshell(KList.kshell); in fillYkgstrain()
111 mRealType uk = evalYkgstrain(std::sqrt(KList.ksq[ki])); in fillYkgstrain()
112 while (ki < KList.kshell[ks + 1] && ki < Fkgstrain.size()) in fillYkgstrain()
116 void filldFk_dk(KContainer& KList) in filldFk_dk() argument
118 dFk_dstrain.resize(KList.kpts_cart.size()); in filldFk_dk()
122 dFk_dstrain[ki] = evaluateLR_dstrain(KList.kpts_cart[ki], std::sqrt(KList.ksq[ki])); in filldFk_dk()
H A DLRRPAHandlerTemp.h224 fillXk(breakuphandler.KList); in InitBreakup()
230 void fillXk(std::vector<TinyVector<mRealType, 2>>& KList) in fillXk()
232 Fk.resize(KList.size()); in fillXk()
233 for (int ki = 0; ki < KList.size(); ki++) in fillXk()
235 mRealType k = KList[ki][0]; in fillXk()
240 void fillFk(KContainer& KList) in fillFk()
242 Fk.resize(KList.kpts_cart.size()); in fillFk()
243 const std::vector<int>& kshell(KList.kshell); in fillFk()
250 mRealType k = std::pow(KList.ksq[ki], 0.5); in fillFk()
254 while (ki < KList.kshell[ks + 1] && ki < Fk.size()) in fillFk()
H A DTwoDEwaldHandler.cpp39 void TwoDEwaldHandler::fillFk(KContainer& KList) in fillFk() argument
41 Fk.resize(KList.kpts_cart.size()); in fillFk()
42 const std::vector<int>& kshell(KList.kshell); in fillFk()
50 kMag[ks] = std::sqrt(KList.ksq[ki]); in fillFk()
53 while (ki < KList.kshell[ks + 1] && ki < Fk.size()) in fillFk()
H A DLRHandlerTemp.h239 fillXk(breakuphandler.KList); in InitBreakup()
255 void fillXk(std::vector<TinyVector<mRealType, 2>>& KList) in fillXk() argument
257 Fk.resize(KList.size()); in fillXk()
258 for (int ki = 0; ki < KList.size(); ki++) in fillXk()
260 mRealType k = KList[ki][0]; in fillXk()
265 void fillFk(KContainer& KList) in fillFk() argument
267 Fk.resize(KList.kpts_cart.size()); in fillFk()
268 const std::vector<int>& kshell(KList.kshell); in fillFk()
274 mRealType uk = evalFk(std::sqrt(KList.ksq[ki])); in fillFk()
276 while (ki < KList.kshell[ks + 1] && ki < Fk.size()) in fillFk()
H A DLRHandlerBase.h306 KContainer& KList(ref.SK->KLists); in initBreakup()
307 int maxshell = KList.kshell.size() - 1; in initBreakup()
308 const KContainer::SContainer_t& kk(KList.ksq); in initBreakup()
314 ik = KList.kshell[++ksh]; in initBreakup()
318 Fk.resize(KList.kpts_cart.size()); in initBreakup()
321 mRealType v = norm * myFunc(kk[KList.kshell[ksh]]); //rpa=u0/kk[ik]; in initBreakup()
323 for (; ik < KList.kshell[ksh + 1]; ik++) in initBreakup()
/dports/textproc/sablotron/Sablot-1.0.3/src/engine/
H A Dkey.cpp42 KList::KList() in KList() function in KList
47 KList::~KList() in ~KList()
51 int KList::findNdx(const Str& keyValue) const in findNdx()
78 eFlag KList::getNodes(Sit S, const Str& keyValue, Context& result) const in getNodes()
92 eFlag KList::makeValues(Sit S, Expression& use) in makeValues()
144 int KList::compare(int i, int j, void *data) in compare()
153 void KList::swap(int i, int j) in swap()
159 void KList::sort(Sit S) in sort()
184 KList *array = (*c).getKeyArray(); in create()
208 KList *array = find(doc); in getNodes()
[all …]
H A Dkey.h40 class KList : public CList
43 KList();
44 ~KList();
69 KList* find(SXP_Document doc) const;
72 PList<KList*> subkeys;
H A Dcontext.h84 class KList; variable
131 KList* getKeyArray();
H A Dcontext.cpp378 array = isForKey? new KList : new CList; in Context()
479 array = isForKey? new KList : new CList; in deppendall()
573 KList* Context::getKeyArray() in getKeyArray()
576 return cast(KList*, array); in getKeyArray()
/dports/math/octave-forge-statistics/statistics-1.4.3/inst/private/
H A DClusterCriterion.m102 function this = ClusterCriterion (x, clust, KList)
143 this.InspectedK = parseKList (this, KList);
229 function retList = parseKList (this, KList)
230 if (isnumeric (KList) && isvector (KList) && all (find (KList > 0)) && ...
231 all (floor (KList) == KList))
232 retList = unique (KList);
/dports/security/hs-cryptol/cryptol-2.11.0/_cabal_deps/sbv-8.12/Data/SBV/Core/
H A DKind.hs65 | KList Kind constructor
87 show (KList e) = "[" ++ show e ++ "]"
107 sh (KList k) = "[" ++ sh k ++ "]"
141 smtType (KList k) = "(Seq " ++ smtType k ++ ")"
167 KList{} -> False
243 KList ek -> error $ "SBV.HasKind.intSizeOf((S)List)" ++ show ek
279 isList (kindOf -> KList{}) = True
337 hasUninterpretedSorts (KList k) = hasUninterpretedSorts k
345 | True = KList (kindOf (Proxy @a))
394 needsFlattening KList{} = True function
/dports/math/octave-forge-statistics/statistics-1.4.3/inst/
H A Devalclusters.m74 ## @item @qcode{KList}
190 error (["evalclusters: 'KList' can be empty only when 'clust' "...
197 error ("evalclusters: 'KList' must be an array of positive integers");
280 error (["evalclusters: 'KList' can be empty only when 'clust' ", ...
342 %!error <'KList' can be empty*> evalclusters ([1 1;0 1], "kmeans", "gap")
346 %!error <'KList'*> evalclusters ([1 1;0 1], [1; 2], "gap", "KList", [-1 0])
347 %!error <'KList'*> evalclusters ([1 1;0 1], [1; 2], "gap", "KList", [1 .5])
348 %!error <'KList'*> evalclusters ([1 1;0 1], [1; 2], "gap", "KList", [1 1; 1 1])
362 %! eva = evalclusters(meas, "kmeans", "calinskiharabasz", "KList", [1:6])
/dports/lang/erlang-runtime23/corba-5.0.2/lib/orber/COSS/CosNaming/
H A DCosNaming_NamingContextExt_impl.erl244 KList =
252 nameindex=KList});
372 KList =
380 nameindex= KList});
483 KList = lists:keydelete(N, 1, X),
485 nameindex= KList});
/dports/lang/erlang-runtime24/corba-5.0.2/lib/orber/COSS/CosNaming/
H A DCosNaming_NamingContextExt_impl.erl244 KList =
252 nameindex=KList});
372 KList =
380 nameindex= KList});
483 KList = lists:keydelete(N, 1, X),
485 nameindex= KList});
/dports/lang/erlang-runtime22/corba-4.5.2/lib/orber/COSS/CosNaming/
H A DCosNaming_NamingContextExt_impl.erl244 KList =
252 nameindex=KList});
372 KList =
380 nameindex= KList});
483 KList = lists:keydelete(N, 1, X),
485 nameindex= KList});
/dports/lang/erlang/corba-5.0.2/lib/orber/COSS/CosNaming/
H A DCosNaming_NamingContextExt_impl.erl244 KList =
252 nameindex=KList});
372 KList =
380 nameindex= KList});
483 KList = lists:keydelete(N, 1, X),
485 nameindex= KList});
/dports/lang/erlang-runtime21/corba-4.5.2/lib/orber/COSS/CosNaming/
H A DCosNaming_NamingContextExt_impl.erl244 KList =
252 nameindex=KList});
372 KList =
380 nameindex= KList});
483 KList = lists:keydelete(N, 1, X),
485 nameindex= KList});
/dports/security/hs-cryptol/cryptol-2.11.0/_cabal_deps/sbv-8.12/Data/SBV/Tools/
H A DGenTest.hs136 … KList es -> error $ "SBV.renderTest: Unsupported list valued test: [" ++ show es ++ "]"
151 … KList es -> error $ "SBV.renderTest: Unsupported list valued sort: [" ++ show es ++ "]"
240 … k@KList{} -> error $ "SBV.renderTest: Unsupported list sort: " ++ show k
258 k@KList{} -> error $ "SBV.renderTest: Unsupported list sort!" ++ show k
329 KList ek -> noForte $ "List of " ++ show ek
/dports/lang/erlang-runtime23/corba-5.0.2/lib/ic/src/
H A Dic_options.erl235 add_opt(G, KList, Val) when is_list(KList) ->
238 KList);
/dports/lang/erlang-runtime24/corba-5.0.2/lib/ic/src/
H A Dic_options.erl235 add_opt(G, KList, Val) when is_list(KList) ->
238 KList);

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