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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/
H A DDriftOperators.h26 T vsq = Dot(ga, ga); in getDriftScale() local
27 …return (vsq < std::numeric_limits<T>::epsilon()) ? tau : ((-1.0 + std::sqrt(1.0 + 2.0 * tau * vsq)… in getDriftScale()
40 T vsq = dot(drift, drift); in getScaledDrift() local
41 …T sc = (vsq < std::numeric_limits<T>::epsilon()) ? tau : ((-1.0 + std::sqrt(1.0 + 2.0 * tau * vsq… in getScaledDrift()
58 T vsq = dot(drift, drift); in getScaledDriftL2() local
59 …T sc = (vsq < std::numeric_limits<T>::epsilon()) ? tau : ((-1.0 + std::sqrt(1.0 + 2.0 * tau * vsq… in getScaledDriftL2()
94 T vsq = dot(drift[iat], drift[iat]); in setScaledDriftPbyPandNodeCorr() local
95 …T sc = (vsq < std::numeric_limits<T>::epsilon()) ? tau : ((-1.0 + std::sqrt(1.0 + 2.0 * tau * vsq… in setScaledDriftPbyPandNodeCorr()
96 norm_scaled += vsq * sc * sc; in setScaledDriftPbyPandNodeCorr()
97 norm += vsq * tau2; in setScaledDriftPbyPandNodeCorr()
[all …]
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/GreenFunctionModifiers/
H A DDriftModifierUNR.cpp26 RealType vsq = dot(drift, drift); in getDrift() local
27 RealType sc = vsq < std::numeric_limits<RealType>::epsilon() in getDrift()
29 : ((-1.0 + std::sqrt(1.0 + 2.0 * a_ * tau * vsq)) / (a_ * vsq)); in getDrift()
37 if( std::isnan(vsq) ) in getDrift()
44 error_message << "drift[" << i << "] is nan, vsq (" << vsq << ") sc (" << sc << ")\n"; in getDrift()
57 RealType vsq = drift * drift; in getDrift() local
58 RealType sc = vsq < std::numeric_limits<RealType>::epsilon() in getDrift()
60 : ((-1.0 + std::sqrt(1.0 + 2.0 * a_ * tau * vsq)) / (a_ * vsq)); in getDrift()
68 if( std::isnan(vsq) ) in getDrift()
73 error_message << "drift is nan, vsq (" << vsq << ") sc (" << sc << ")\n"; in getDrift()
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dfix_nve_limit.cpp123 double dtfm,vsq,scale, rsq; in initial_integrate() local
148 if (vsq > vlimitsq*rsq) { in initial_integrate()
172 if (vsq > vlimitsq) { in initial_integrate()
174 scale = sqrt(vlimitsq/vsq); in initial_integrate()
196 if (vsq > vlimitsq) { in initial_integrate()
198 scale = sqrt(vlimitsq/vsq); in initial_integrate()
216 double dtfm,vsq,scale,rsq; in final_integrate() local
240 if (vsq > vlimitsq*rsq) { in final_integrate()
260 if (vsq > vlimitsq) { in final_integrate()
280 if (vsq > vlimitsq) { in final_integrate()
[all …]
H A Dfix_dt_reset.cpp166 double vsq,fsq,massinv; in end_of_step() local
185 vsq = v[i][0]*v[i][0] + v[i][1]*v[i][1] + v[i][2]*v[i][2]; in end_of_step()
188 if (vsq > 0.0) dtv = xmax/sqrt(vsq); in end_of_step()
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dfix_nve_limit.cpp88 double dtfm,vsq,scale; in initial_integrate() local
108 vsq = v[i][0]*v[i][0] + v[i][1]*v[i][1] + v[i][2]*v[i][2]; in initial_integrate()
109 if (vsq > vlimitsq) { in initial_integrate()
111 scale = sqrt(vlimitsq/vsq); in initial_integrate()
132 if (vsq > vlimitsq) { in initial_integrate()
134 scale = sqrt(vlimitsq/vsq); in initial_integrate()
152 double dtfm,vsq,scale; in final_integrate() local
172 if (vsq > vlimitsq) { in final_integrate()
174 scale = sqrt(vlimitsq/vsq); in final_integrate()
191 if (vsq > vlimitsq) { in final_integrate()
[all …]
H A Dfix_dt_reset.cpp149 double vsq, fsq, massinv; in end_of_step() local
168 vsq = v[i][0] * v[i][0] + v[i][1] * v[i][1] + v[i][2] * v[i][2]; in end_of_step()
171 if (vsq > 0.0) dtv = xmax / sqrt(vsq); in end_of_step()
174 if ((emax > 0.0) && (fsq * vsq > 0.0)) { in end_of_step()
175 dte = emax / sqrt(fsq * vsq) / sqrt(ftm2v * mvv2e); in end_of_step()
/dports/devel/ispc/ispc-1.16.1/examples/cpu/stencil/
H A Dstencil.cpp51 … const float coef[5], const float vsq[], float Aeven[], float Aodd[]);
53 void InitData(int Nx, int Ny, int Nz, float *A[2], float *vsq) { in InitData() argument
60 vsq[offset] = x * y * z / float(Nx * Ny * Nz); in InitData()
88 float *vsq = new float[Nx * Ny * Nz]; in main() local
92 InitData(Nx, Ny, Nz, Aispc, vsq); in main()
100 …stencil_ispc(0, 6, width, Nx - width, width, Ny - width, width, Nz - width, Nx, Ny, Nz, coeff, vsq, in main()
109 InitData(Nx, Ny, Nz, Aispc, vsq); in main()
118 …l_ispc_tasks(0, 6, width, Nx - width, width, Ny - width, width, Nz - width, Nx, Ny, Nz, coeff, vsq, in main()
127 InitData(Nx, Ny, Nz, Aserial, vsq); in main()
136 …encil_serial(0, 6, width, Nx - width, width, Ny - width, width, Nz - width, Nx, Ny, Nz, coeff, vsq, in main()
H A Dstencil_serial.cpp35 const float vsq[], const float Ain[], float Aout[]) { in stencil_step() argument
52 A_next(0, 0, 0) = 2 * A_cur(0, 0, 0) - A_next(0, 0, 0) + vsq[index] * div; in stencil_step()
59 const float coef[4], const float vsq[], float Aeven[], float Aodd[]) { in loop_stencil_serial() argument
62 stencil_step(x0, x1, y0, y1, z0, z1, Nx, Ny, Nz, coef, vsq, Aeven, Aodd); in loop_stencil_serial()
64 stencil_step(x0, x1, y0, y1, z0, z1, Nx, Ny, Nz, coef, vsq, Aodd, Aeven); in loop_stencil_serial()
H A Dstencil.ispc40 uniform const float coef[4], uniform const float vsq[],
60 vsq[index] * div;
70 uniform const float coef[4], uniform const float vsq[],
73 Nx, Ny, Nz, coef, vsq, Ain, Aout);
84 uniform const float vsq[],
92 coef, vsq, Aeven, Aodd);
95 coef, vsq, Aodd, Aeven);
111 uniform const float vsq[],
116 stencil_step(x0, x1, y0, y1, z0, z1, Nx, Ny, Nz, coef, vsq,
119 stencil_step(x0, x1, y0, y1, z0, z1, Nx, Ny, Nz, coef, vsq,
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/
H A Dargos_cafe_mcti_w.F13 real*8 vsq
16 vsq=half*(vs(i,1)*vs(i,1)+vs(i,2)*vs(i,2)+vs(i,3)*vs(i,3))
17 deriv(13,1)=deriv(13,1)-wgt(isat(i),4)*vsq
18 if(npgdec.gt.1) dera(6,isga(i))=dera(6,isga(i))-wgt(isat(i),4)*vsq
20 + vsq*wgt(isat(i),1)*(wgt(isat(i),1)/wgt(isat(i),2)-one)
22 + vsq*wgt(isat(i),1)*(wgt(isat(i),1)/wgt(isat(i),3)-one)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/
H A Dargos_cafe_mcti_w.F13 real*8 vsq local
16 vsq=half*(vs(i,1)*vs(i,1)+vs(i,2)*vs(i,2)+vs(i,3)*vs(i,3))
17 deriv(13,1)=deriv(13,1)-wgt(isat(i),4)*vsq
18 if(npgdec.gt.1) dera(6,isga(i))=dera(6,isga(i))-wgt(isat(i),4)*vsq
20 + vsq*wgt(isat(i),1)*(wgt(isat(i),1)/wgt(isat(i),2)-one)
22 + vsq*wgt(isat(i),1)*(wgt(isat(i),1)/wgt(isat(i),3)-one)
/dports/net-mgmt/braa/braa-0.82/
H A Dbraaprotocol.c50 ** vsq = (asnobject**) (((asnobject**) pdu->pdata)[3]->pdata); in braa_GetRequestPDU_Insert() local
60 assert(vsq = (asnobject **) grealloc(vsq, sizeof(asnobject*) * (vsl + 1))); in braa_GetRequestPDU_Insert()
62 vsq[vsl ++] = var; in braa_GetRequestPDU_Insert()
64 ((asnobject**) pdu->pdata)[3]->pdata = vsq; in braa_GetRequestPDU_Insert()
73 ** vsq = (asnobject**) (((asnobject**) pdu->pdata)[3]->pdata); in braa_SetRequestPDU_Insert() local
83 assert(vsq = (asnobject **) grealloc(vsq, sizeof(asnobject*) * (vsl + 1))); in braa_SetRequestPDU_Insert()
85 vsq[vsl ++] = var; in braa_SetRequestPDU_Insert()
87 ((asnobject**) pdu->pdata)[3]->pdata = vsq; in braa_SetRequestPDU_Insert()
/dports/lang/gcc12-devel/gcc-12-20211205/gcc/config/rs6000/
H A Drs6000-builtin-new.def1960 const vsq __builtin_vsx_xxsel_1ti (vsq, vsq, vsq);
1963 const vsq __builtin_vsx_xxsel_1ti_uns (vsq, vsq, vsq);
2208 const vsq __builtin_altivec_vaddcuq (vsq, vsq);
2211 const vsq __builtin_altivec_vaddecuq (vsq, vsq, vsq);
2214 const vsq __builtin_altivec_vaddeuqm (vsq, vsq, vsq);
2220 const vsq __builtin_altivec_vadduqm (vsq, vsq);
2328 const vsq __builtin_altivec_vsubcuq (vsq, vsq);
2331 const vsq __builtin_altivec_vsubecuq (vsq, vsq, vsq);
2334 const vsq __builtin_altivec_vsubeuqm (vsq, vsq, vsq);
3117 const vsq __builtin_altivec_dives (vsq, vsq);
[all …]
H A Drs6000-overload.def241 vsq __builtin_vec_add (vsq, vsq);
288 vsq __builtin_vec_addc (vsq, vsq);
297 vsq __builtin_vec_adde (vsq, vsq, vsq);
306 vsq __builtin_vec_addec (vsq, vsq, vsq);
1194 vsq __builtin_vec_div (vsq, vsq);
4246 vsq __builtin_vec_sube (vsq, vsq, vsq);
4255 vsq __builtin_vec_subec (vsq, vsq, vsq);
5028 vsq __builtin_vec_vaddecuq (vsq, vsq, vsq);
5034 vsq __builtin_vec_vaddeuqm (vsq, vsq, vsq);
5928 vsq __builtin_vec_vsubecuq (vsq, vsq, vsq);
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/src/MACHDYN/
H A Dfix_smd_integrate_tlsph.cpp124 double dtfm, vsq, scale; in initial_integrate() local
159 vsq = v[i][0] * v[i][0] + v[i][1] * v[i][1] + v[i][2] * v[i][2]; in initial_integrate()
160 if (vsq > vlimitsq) { in initial_integrate()
161 scale = sqrt(vlimitsq / vsq); in initial_integrate()
201 double dtfm, vsq, scale; in final_integrate() local
226 vsq = v[i][0] * v[i][0] + v[i][1] * v[i][1] + v[i][2] * v[i][2]; in final_integrate()
227 if (vsq > vlimitsq) { in final_integrate()
228 scale = sqrt(vlimitsq / vsq); in final_integrate()
H A Dfix_smd_integrate_ulsph.cpp163 double dtfm, vsq, scale; in initial_integrate() local
192 vsq = v[i][0] * v[i][0] + v[i][1] * v[i][1] + v[i][2] * v[i][2]; in initial_integrate()
193 if (vsq > vlimitsq) { in initial_integrate()
194 scale = sqrt(vlimitsq / vsq); in initial_integrate()
252 double dtfm, vsq, scale; in final_integrate() local
281 vsq = v[i][0] * v[i][0] + v[i][1] * v[i][1] + v[i][2] * v[i][2]; in final_integrate()
282 if (vsq > vlimitsq) { in final_integrate()
283 scale = sqrt(vlimitsq / vsq); in final_integrate()
/dports/biology/jalview/jalview/src/jalview/io/vamsas/
H A DDatasetsequence.java206 Sequence vsq = (Sequence) vobj; in updateJvDbRefs() local
207 if (vsq.getDbRefCount() > 0) in updateJvDbRefs()
210 DbRef[] entries = vsq.getDbRef(); in updateJvDbRefs()
216 entries[db], vsq, sq).jvWasUpdated(); in updateJvDbRefs()
/dports/comms/wsjtz/wsjtx/lib/qra/q65/
H A Dqracodes.c128 float vsq; in qra_ioapprox() local
134 vsq = v*v; in qra_ioapprox()
135 v = vsq*(v+0.039f)/(vsq*.9931f+v*2.6936f+0.5185f); in qra_ioapprox()
/dports/comms/wsjtz/wsjtx/lib/qra/qracodes/
H A Dqracodes.c128 float vsq; in qra_ioapprox() local
134 vsq = v*v; in qra_ioapprox()
135 v = vsq*(v+0.039f)/(vsq*.9931f+v*2.6936f+0.5185f); in qra_ioapprox()
/dports/science/madness/madness-ebb3fd7/src/apps/polar/
H A Dmcpfit.cc520 vecfuncT vsq = square(world, psi_c); in make_reference() local
521 compress(world, vsq); in make_reference()
524 for (unsigned int i=0; i<vsq.size(); i++) { in make_reference()
526 rho_c.gaxpy(1.0, vsq[i], aocc[i], false); in make_reference()
529 vsq.clear(); in make_reference()
532 vsq = square(world, psi_c); in make_reference()
533 compress(world, vsq); in make_reference()
534 for (unsigned int i=0; i<vsq.size(); i++) { in make_reference()
536 rho_c.gaxpy(1.0, vsq[i], bocc[i], false); in make_reference()
539 vsq.clear(); in make_reference()
H A Dpreal.cc308 vector_real_function_3d vsq = square(world, v); in make_density() local
309 compress(world, vsq); in make_density()
312 for(unsigned int i = 0;i < vsq.size();++i){ in make_density()
313 rho.gaxpy(1.0, vsq[i], 2.0, false); in make_density()
317 vsq.clear(); in make_density()
/dports/science/madness/madness-ebb3fd7/src/apps/moldft/
H A Dmcpfit.cc521 vecfuncT vsq = square(world, psi_c); in make_reference() local
522 compress(world, vsq); in make_reference()
525 for (unsigned int i=0; i<vsq.size(); i++) { in make_reference()
527 rho_c.gaxpy(1.0, vsq[i], aocc[i], false); in make_reference()
530 vsq.clear(); in make_reference()
533 vsq = square(world, psi_c); in make_reference()
534 compress(world, vsq); in make_reference()
535 for (unsigned int i=0; i<vsq.size(); i++) { in make_reference()
537 rho_c.gaxpy(1.0, vsq[i], bocc[i], false); in make_reference()
540 vsq.clear(); in make_reference()
/dports/devel/php-ice37/ice-3.7.2/csharp/test/Ice/serialize/
H A DAllTests.cs80 ex.vsq = new Queue<Test.ValStruct>(); in allTests()
110 ex.vsq = new Queue<Test.ValStruct>(); in allTests()
111 ex.vsq.Enqueue(ex.vs); in allTests()
/dports/devel/ice37/ice-3.7.2/csharp/test/Ice/serialize/
H A DAllTests.cs80 ex.vsq = new Queue<Test.ValStruct>(); in allTests()
110 ex.vsq = new Queue<Test.ValStruct>(); in allTests()
111 ex.vsq.Enqueue(ex.vs); in allTests()
/dports/devel/py-ice37/ice-3.7.2/csharp/test/Ice/serialize/
H A DAllTests.cs80 ex.vsq = new Queue<Test.ValStruct>(); in allTests()
110 ex.vsq = new Queue<Test.ValStruct>(); in allTests()
111 ex.vsq.Enqueue(ex.vs); in allTests()

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