| /dports/science/lammps/lammps-stable_29Sep2021/src/DIPOLE/ |
| H A D | pair_lj_long_dipole_long.cpp | 428 double force_d[3] = {0.0,0.0,0.0}, ti[3] = {0.0,0.0,0.0}, tj[3] = {0.0,0.0,0.0}; in compute() local
504 force_d[0] = B0*mui[0]+B3*muj[0]; // force contribs in compute()
505 force_d[1] = B0*mui[1]+B3*muj[1]; in compute()
506 force_d[2] = B0*mui[2]+B3*muj[2]; in compute()
520 memset(force_d, 0, 3*sizeof(double)); in compute()
557 fi[0] += fx = d[0]*fpair+force_d[0]; fj[0] -= fx; in compute()
558 fi[1] += fy = d[1]*fpair+force_d[1]; fj[1] -= fy; in compute()
559 fi[2] += fz = d[2]*fpair+force_d[2]; fj[2] -= fz; in compute()
568 fi[0] += fx = d[0]*fpair+force_d[0]; // force in compute()
569 fi[1] += fy = d[1]*fpair+force_d[1]; in compute()
[all …]
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| /dports/net/c3270/suite3270-4.0/include/ |
| H A D | proxy_socks5.h | 34 const char *host, unsigned short port, bool force_d);
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| /dports/x11/x3270/suite3270-4.0/include/ |
| H A D | proxy_socks5.h | 34 const char *host, unsigned short port, bool force_d);
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| /dports/science/openbabel/openbabel-3.1.1/include/openbabel/ |
| H A D | forcefield.h | 209 double force_d[3]; variable
1548 … double *force_a, double *force_b, double *force_c, double *force_d);
1563 … double *force_a, double *force_b, double *force_c, double *force_d);
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| /dports/net/c3270/suite3270-4.0/Common/ |
| H A D | proxy_socks5.c | 97 unsigned short port, bool force_d) in proxy_socks5() argument
107 if (force_d) { in proxy_socks5()
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| /dports/x11/x3270/suite3270-4.0/Common/ |
| H A D | proxy_socks5.c | 97 unsigned short port, bool force_d) in proxy_socks5() argument
107 if (force_d) { in proxy_socks5()
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| /dports/science/openbabel/openbabel-3.1.1/src/forcefields/ |
| H A D | forcefielduff.cpp | 255 force_a, force_b, force_c, force_d); in Compute()
285 OBForceField::VectorSelfMultiply(force_d, dE); in Compute()
311 AddGradient((*i).force_d, (*i).idx_d); in E_Torsion()
351 force_a, force_b, force_c, force_d); in Compute()
362 OBForceField::VectorSelfMultiply(force_d, dE); in Compute()
393 AddGradient((*i).force_d, (*i).idx_d); in E_OOP()
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| H A D | forcefieldgaff.cpp | 182 force_a, force_b, force_c, force_d); in Compute()
192 OBForceField::VectorSelfMultiply(force_d, dE); in Compute()
228 AddGradient((*i).force_d, (*i).idx_d); in E_Torsion()
284 force_a, force_b, force_c, force_d); in Compute()
294 OBForceField::VectorSelfMultiply(force_d, dE); in Compute()
330 AddGradient((*i).force_d, (*i).idx_d); in E_OOP()
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| H A D | forcefieldghemical.cpp | 181 force_a, force_b, force_c, force_d); in Compute()
193 OBForceField::VectorSelfMultiply(force_d, dE); in Compute()
234 AddGradient((*i).force_d, (*i).idx_d); in E_Torsion()
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| H A D | forcefieldmmff94.cpp | 465 force_a, force_b, force_c, force_d); in Compute()
478 OBForceField::VectorSelfMultiply(force_d, dE); in Compute()
522 AddGradient(_torsioncalculations[i].force_d, _torsioncalculations[i].idx_d); in E_Torsion()
543 AddGradient(_torsioncalculations[i].force_d, _torsioncalculations[i].idx_d); in E_Torsion()
575 force_a, force_b, force_c, force_d); in Compute()
582 OBForceField::VectorSelfMultiply(force_d, dE); in Compute()
620 AddGradient(_oopcalculations[i].force_d, _oopcalculations[i].idx_d); in E_OOP()
640 AddGradient(_oopcalculations[i].force_d, _oopcalculations[i].idx_d); in E_OOP()
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/hotint/HotInt_V1/ElementsLib/constraints/ |
| H A D | RigidBodyJoints.cpp | 2516 force_d = ce.force_d; in CopyFrom()
2540 force_d = 0; in ElementDefaultConstructorInitialization()
2741 f = force_k + force_d; in ComputeForce()
2887 force_d = RWdata.value; in WriteSingleElementData()
3553 force_d = 0; in ElementDefaultConstructorInitialization()
3577 force_d = ce.force_d; in CopyFrom()
3684 f = force_k + force_d; in ComputeForce()
3899 force_d = RWdata.value; in WriteSingleElementData()
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| H A D | RigidBodyJoints.h | 815 double force_d; variable
1193 double force_d; variable
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| /dports/science/openbabel/openbabel-3.1.1/scripts/python/openbabel/ |
| H A D | openbabel.py | 3312 …force_d = _swig_property(_openbabel.OBFFCalculation4_force_d_get, _openbabel.OBFFCalculation4_forc… variable in OBFFCalculation4
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| H A D | openbabel-python.cpp | 33734 for (; ii < (size_t)3; ++ii) *(double *)&arg1->force_d[ii] = *((double *)arg2 + ii); } else { in _wrap_OBFFCalculation4_force_d_set()
33742 …pret_cast< OpenBabel::OBFFCalculation4 * >(argp1); result = (double *)(double *) ((arg1)->force_d); in _wrap_OBFFCalculation4_force_d_get()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/R/examples/openbabelR/src/ |
| H A D | openbabel-R.cpp | 24641 for (; ii < (size_t)3; ++ii) arg1->force_d[ii] = arg2[ii]; } else { in R_swig_OBFFCalculation4_force_d_set()
24649 …pret_cast< OpenBabel::OBFFCalculation4 * >(argp1); result = (double *)(double *) ((arg1)->force_d); in R_swig_OBFFCalculation4_force_d_get()
26507 …, SEXP pos_c, SEXP pos_d, SEXP force_a, SEXP force_b, SEXP force_c, SEXP force_d, SEXP s_swig_copy) in R_swig_OBForceField_VectorOOPDerivative__SWIG_0() argument
26525 …int _rswiglen = LENGTH(force_d); arg8 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); in R_swig_OBForceField_VectorOOPDerivative__SWIG_0()
26526 … for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg8[_rswigi] = REAL(force_d)[_rswigi]; } } } in R_swig_OBForceField_VectorOOPDerivative__SWIG_0()
26558 …, SEXP pos_c, SEXP pos_d, SEXP force_a, SEXP force_b, SEXP force_c, SEXP force_d, SEXP s_swig_copy) in R_swig_OBForceField_VectorTorsionDerivative__SWIG_0() argument
26576 …int _rswiglen = LENGTH(force_d); arg8 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); in R_swig_OBForceField_VectorTorsionDerivative__SWIG_0()
26577 … for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg8[_rswigi] = REAL(force_d)[_rswigi]; } } } in R_swig_OBForceField_VectorTorsionDerivative__SWIG_0()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/csharp/ |
| H A D | openbabel-csharp.cpp | 11001 …FCalculation4 *)jarg1; arg2 = (double *)jarg2; { size_t ii; double *b = (double *) arg1->force_d; in CSharp_OpenBabel_OBFFCalculation4_force_d_set()
11005 …arg1 = (OpenBabel::OBFFCalculation4 *)jarg1; result = (double *)(double *) ((arg1)->force_d); jre… in CSharp_OpenBabel_OBFFCalculation4_force_d_get()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/java/ |
| H A D | openbabel-java.cpp | 9780 …double *b = (double *) arg1->force_d; for (ii = 0; ii < (size_t)3; ii++) b[ii] = *((double *) arg2… in Java_org_openbabel_openbabel_1javaJNI_OBFFCalculation4_1force_1d_1set()
9783 …; arg1 = *(OpenBabel::OBFFCalculation4 **)&jarg1; result = (double *)(double *) ((arg1)->force_d); in Java_org_openbabel_openbabel_1javaJNI_OBFFCalculation4_1force_1d_1get()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/perl/ |
| H A D | openbabel-perl.cpp | 22111 … for (; ii < (size_t)3; ++ii) *(double *)&arg1->force_d[ii] = *((double *)arg2 + ii); } else { in XS()
22119 …pret_cast< OpenBabel::OBFFCalculation4 * >(argp1); result = (double *)(double *) ((arg1)->force_d); in XS()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/ruby/ |
| H A D | openbabel-ruby.cpp | 32648 for (; ii < (size_t)3; ++ii) *(double *)&arg1->force_d[ii] = *((double *)arg2 + ii); } else { in _wrap_OBFFCalculation4_force_d_set()
32657 …pret_cast< OpenBabel::OBFFCalculation4 * >(argp1); result = (double *)(double *) ((arg1)->force_d); in _wrap_OBFFCalculation4_force_d_get()
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