KIDS  ver-0.0.1
KIDS : Kernel Integrated Dynamics Simulator
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vars_list.cpp
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1#include "kids/vars_list.h"
2
3namespace PROJECT_NS {
4
5std::vector<VARIABLE_BASE*> VARIABLE_BASE::_LIST;
6
7namespace Dimension {
8std::size_t M;
9std::size_t P;
10std::size_t N;
11std::size_t F;
12std::size_t MP;
13std::size_t PP;
14std::size_t PN;
15std::size_t PNN;
16std::size_t PF;
17std::size_t PFF;
18std::size_t PNFF;
19std::size_t NF;
20std::size_t NN;
21std::size_t FF;
22std::size_t NFF;
23std::size_t NNFF;
24std::size_t Fadd1;
25
26using sh_ref = std::vector<std::size_t*>;
27Shape shape_1(1);
28Shape shape_2(2);
29Shape shape_X(1);
30Shape shape_Nxgrid(1);
31Shape shape_Nb(1);
32Shape shape_M(sh_ref{&M});
33Shape shape_P(sh_ref{&P});
34Shape shape_N(sh_ref{&N});
35Shape shape_F(sh_ref{&F});
36Shape shape_Fadd1(sh_ref{&Fadd1});
37Shape shape_MP(sh_ref{&M, &P});
38Shape shape_PP(sh_ref{&P, &P});
39Shape shape_PN(sh_ref{&P, &N});
40Shape shape_PNN(sh_ref{&P, &N, &N});
41Shape shape_PF(sh_ref{&P, &F});
42Shape shape_PFF(sh_ref{&P, &F, &F});
43Shape shape_PNFF(sh_ref{&P, &N, &F, &F});
44Shape shape_NF(sh_ref{&N, &F});
45Shape shape_NN(sh_ref{&N, &N});
46Shape shape_FF(sh_ref{&F, &F});
47Shape shape_NFF(sh_ref{&N, &F, &F});
48Shape shape_NNFF(sh_ref{&N, &N, &F, &F});
49
50void static_build_shapes() {
51 assert(M > 0 && P > 0 && N > 0 && F > 0); //
52 // auxiliary dimension
53 FF = F * F;
54 NFF = N * FF;
55 NF = N * F;
56 NN = N * N;
57 PP = P * P;
58 PN = P * N;
59 PNN = P * NN;
60 PF = P * F;
61 PFF = P * FF;
62 PNFF = P * NFF;
63 MP = M * P;
64 Fadd1 = F + 1;
65 shape_M.static_build();
66 shape_P.static_build();
67 shape_N.static_build();
68 shape_F.static_build();
69 shape_Fadd1.static_build();
70 shape_MP.static_build();
71 shape_PP.static_build();
72 shape_PN.static_build();
73 shape_PNN.static_build();
74 shape_PF.static_build();
75 shape_PFF.static_build();
76 shape_PNFF.static_build();
77 shape_NF.static_build();
78 shape_NN.static_build();
79 shape_FF.static_build();
80 shape_NFF.static_build();
81 shape_NNFF.static_build();
82}
83}; // namespace Dimension
84
85namespace DATA {
86
87#define NAME_WRAPPER(name, shape, doc_string) name(#name, shape, doc_string)
88using namespace Dimension;
89VARIABLE<kids_real> NAME_WRAPPER(init::Etot, &shape_1, "total energy");
90VARIABLE<kids_real> NAME_WRAPPER(init::p, &shape_N, "nuclear momentum");
91VARIABLE<kids_real> NAME_WRAPPER(init::x, &shape_N, "nuclear coordinate");
92VARIABLE<kids_complex> NAME_WRAPPER(integrator::Acoeff, &shape_P, "configuration coefficients");
93VARIABLE<kids_real> NAME_WRAPPER(integrator::E, &shape_PF, "adiabatic energies");
94VARIABLE<kids_real> NAME_WRAPPER(integrator::Ekin, &shape_P, "kinematic energy");
95VARIABLE<kids_real> NAME_WRAPPER(integrator::Epot, &shape_P, "potential energy");
96VARIABLE<kids_real> NAME_WRAPPER(integrator::Etot, &shape_P, "total energy");
97VARIABLE<kids_real> NAME_WRAPPER(integrator::GWP::L, &shape_P, "ES used for GWP");
98VARIABLE<kids_real> NAME_WRAPPER(integrator::GWP::L1, &shape_P, "");
99VARIABLE<kids_real> NAME_WRAPPER(integrator::GWP::L2, &shape_P, "");
100VARIABLE<kids_complex> NAME_WRAPPER(integrator::GWP::R, &shape_PP, "EV used for GWP");
101VARIABLE<kids_complex> NAME_WRAPPER(integrator::GWP::R1, &shape_PP, "");
102VARIABLE<kids_complex> NAME_WRAPPER(integrator::GWP::R2, &shape_PP, "");
103VARIABLE<kids_complex> NAME_WRAPPER(integrator::GWP::S1, &shape_PP, "overlap used for GWP");
104VARIABLE<kids_complex> NAME_WRAPPER(integrator::GWP::S1h, &shape_PP, "");
105VARIABLE<kids_complex> NAME_WRAPPER(integrator::GWP::S2, &shape_PP, "");
106VARIABLE<kids_complex> NAME_WRAPPER(integrator::GWP::S2h, &shape_PP, "");
107VARIABLE<kids_complex> NAME_WRAPPER(integrator::GWP::Sx, &shape_PP, "");
108VARIABLE<kids_complex> NAME_WRAPPER(integrator::GWP::invS1h, &shape_PP, "inversed overlap used for GWP");
109VARIABLE<kids_complex> NAME_WRAPPER(integrator::GWP::invS2h, &shape_PP, "");
110VARIABLE<kids_complex> NAME_WRAPPER(integrator::Hbasis, &shape_PP, "");
111VARIABLE<kids_complex> NAME_WRAPPER(integrator::Hcoeff, &shape_PP, "");
112VARIABLE<kids_complex> NAME_WRAPPER(integrator::K0, &shape_PFF, "");
113VARIABLE<kids_complex> NAME_WRAPPER(integrator::K1, &shape_PFF, "");
114VARIABLE<kids_complex> NAME_WRAPPER(integrator::K1DA, &shape_PFF, "");
115VARIABLE<kids_complex> NAME_WRAPPER(integrator::K1DD, &shape_PFF, "");
116VARIABLE<kids_complex> NAME_WRAPPER(integrator::K1QA, &shape_PFF, "");
117VARIABLE<kids_complex> NAME_WRAPPER(integrator::K1QD, &shape_PFF, "");
118VARIABLE<kids_complex> NAME_WRAPPER(integrator::K2, &shape_PFF, "");
119VARIABLE<kids_complex> NAME_WRAPPER(integrator::K2DA, &shape_PFF, "");
120VARIABLE<kids_complex> NAME_WRAPPER(integrator::K2DD, &shape_PFF, "");
121VARIABLE<kids_complex> NAME_WRAPPER(integrator::K2QA, &shape_PFF, "");
122VARIABLE<kids_complex> NAME_WRAPPER(integrator::K2QD, &shape_PFF, "");
123VARIABLE<kids_complex> NAME_WRAPPER(integrator::OpA, &shape_FF, "");
124VARIABLE<kids_complex> NAME_WRAPPER(integrator::OpB, &shape_FF, "");
125VARIABLE<kids_real> NAME_WRAPPER(integrator::P_used, &shape_1, "");
126VARIABLE<kids_complex> NAME_WRAPPER(integrator::S, &shape_PP, "");
127VARIABLE<kids_complex> NAME_WRAPPER(integrator::Sele, &shape_PP, "");
128VARIABLE<kids_complex> NAME_WRAPPER(integrator::Snuc, &shape_PP, "");
129VARIABLE<kids_complex> NAME_WRAPPER(integrator::U, &shape_PFF, "");
130VARIABLE<kids_complex> NAME_WRAPPER(integrator::UXdt, &shape_PP, "");
131VARIABLE<kids_complex> NAME_WRAPPER(integrator::UYdt, &shape_PP, "");
132VARIABLE<kids_complex> NAME_WRAPPER(integrator::Ubranch, &shape_FF, "");
133VARIABLE<kids_complex> NAME_WRAPPER(integrator::Udt, &shape_PFF, "");
134VARIABLE<kids_complex> NAME_WRAPPER(integrator::Xcoeff, &shape_P, "");
135VARIABLE<kids_real> NAME_WRAPPER(integrator::alpha, &shape_P, "");
136// VARIABLE<kids_real> NAME_WRAPPER(integrator::alpha, &shape_N, "");
137VARIABLE<kids_complex> NAME_WRAPPER(integrator::c, &shape_PF, "electronic amplitude");
138VARIABLE<kids_real> NAME_WRAPPER(integrator::c1, &shape_PN, "langevin coefficients 1");
139VARIABLE<kids_real> NAME_WRAPPER(integrator::c2p, &shape_PN, "langevin coefficients 2");
140VARIABLE<kids_int> NAME_WRAPPER(integrator::clone_account, &shape_P, "");
141VARIABLE<kids_complex> NAME_WRAPPER(integrator::dtAcoeff, &shape_P, "");
142VARIABLE<kids_complex> NAME_WRAPPER(integrator::dtSele, &shape_PP, "");
143VARIABLE<kids_complex> NAME_WRAPPER(integrator::dtlnSnuc, &shape_PP, "");
144VARIABLE<kids_real> NAME_WRAPPER(integrator::f, &shape_PN, "");
145VARIABLE<kids_real> NAME_WRAPPER(integrator::fadd, &shape_PN, "");
146VARIABLE<kids_real> NAME_WRAPPER(integrator::g, &shape_P, "");
147VARIABLE<kids_complex> NAME_WRAPPER(integrator::invS, &shape_PP, "");
148VARIABLE<kids_real> NAME_WRAPPER(integrator::m, &shape_PN, "");
149VARIABLE<kids_real> NAME_WRAPPER(integrator::minv, &shape_PN, "");
150VARIABLE<kids_real> NAME_WRAPPER(integrator::nhc::G, &shape_X, "");
151VARIABLE<kids_real> NAME_WRAPPER(integrator::nhc::Q, &shape_X, "");
152VARIABLE<kids_real> NAME_WRAPPER(integrator::nhc::p, &shape_X, "");
153VARIABLE<kids_real> NAME_WRAPPER(integrator::nhc::x, &shape_X, "");
154VARIABLE<kids_real> NAME_WRAPPER(integrator::norm, &shape_1, "");
155VARIABLE<kids_int> NAME_WRAPPER(integrator::occ_nuc, &shape_P, "");
156VARIABLE<kids_real> NAME_WRAPPER(integrator::p, &shape_PN, "");
157VARIABLE<kids_complex> NAME_WRAPPER(integrator::p_sign, &shape_2, "");
158VARIABLE<kids_real> NAME_WRAPPER(integrator::param::c1, &shape_X, "");
159VARIABLE<kids_real> NAME_WRAPPER(integrator::param::c2p, &shape_X, "");
160VARIABLE<kids_bint> NAME_WRAPPER(integrator::pf_cross, &shape_PF, "");
161VARIABLE<kids_complex> NAME_WRAPPER(integrator::rho_dual, &shape_PFF, "");
162VARIABLE<kids_complex> NAME_WRAPPER(integrator::rho_ele, &shape_PFF, "");
163VARIABLE<kids_complex> NAME_WRAPPER(integrator::rho_nuc, &shape_PFF, "");
164VARIABLE<kids_complex> NAME_WRAPPER(integrator::rhored, &shape_FF, "");
165VARIABLE<kids_complex> NAME_WRAPPER(integrator::rhored2, &shape_FF, "");
166VARIABLE<kids_complex> NAME_WRAPPER(integrator::rhored3, &shape_FF, "");
167VARIABLE<kids_real> NAME_WRAPPER(integrator::sqcIA, &shape_1, "");
168VARIABLE<kids_real> NAME_WRAPPER(integrator::sqcID, &shape_1, "");
169VARIABLE<kids_real> NAME_WRAPPER(integrator::sqcw, &shape_F, "");
170// VARIABLE<kids_real> NAME_WRAPPER(integrator::sqcw, &shape_FF, "");
171// VARIABLE<kids_real> NAME_WRAPPER(integrator::sqcw, &shape_F, "");
172VARIABLE<kids_real> NAME_WRAPPER(integrator::sqcw0, &shape_FF, "");
173VARIABLE<kids_real> NAME_WRAPPER(integrator::sqcwh, &shape_FF, "");
174VARIABLE<kids_complex> NAME_WRAPPER(integrator::tmp::I_PP, &shape_PP, "");
175VARIABLE<kids_complex> NAME_WRAPPER(integrator::tmp::MatC_PP, &shape_PP, "");
176VARIABLE<kids_real> NAME_WRAPPER(integrator::tmp::MatR_PP, &shape_PP, "");
177VARIABLE<kids_real> NAME_WRAPPER(integrator::tmp::TtTold, &shape_FF, "");
178VARIABLE<kids_real> NAME_WRAPPER(integrator::tmp::direction, &shape_N, "");
179VARIABLE<kids_real> NAME_WRAPPER(integrator::tmp::fproj, &shape_N, "");
180VARIABLE<kids_real> NAME_WRAPPER(integrator::tmp::ftmp, &shape_N, "");
181VARIABLE<kids_complex> NAME_WRAPPER(integrator::tmp::fun_diag_F, &shape_F, "");
182VARIABLE<kids_complex> NAME_WRAPPER(integrator::tmp::fun_diag_P, &shape_P, "");
183VARIABLE<kids_complex> NAME_WRAPPER(integrator::tmp::invexpidiagdt, &shape_F, "");
184VARIABLE<kids_real> NAME_WRAPPER(integrator::tmp::ve, &shape_N, "");
185VARIABLE<kids_real> NAME_WRAPPER(integrator::tmp::vedE, &shape_FF, "");
186VARIABLE<kids_complex> NAME_WRAPPER(integrator::tmp::wrho, &shape_FF, "");
187VARIABLE<kids_real> NAME_WRAPPER(integrator::veF, &shape_FF, "");
188VARIABLE<kids_complex> NAME_WRAPPER(integrator::w, &shape_P, "");
189VARIABLE<kids_complex> NAME_WRAPPER(integrator::w_AA, &shape_P, "");
190VARIABLE<kids_complex> NAME_WRAPPER(integrator::w_AD, &shape_P, "");
191VARIABLE<kids_complex> NAME_WRAPPER(integrator::w_CC, &shape_P, "");
192VARIABLE<kids_complex> NAME_WRAPPER(integrator::w_CP, &shape_P, "");
193VARIABLE<kids_complex> NAME_WRAPPER(integrator::w_DD, &shape_P, "");
194VARIABLE<kids_complex> NAME_WRAPPER(integrator::w_PP, &shape_P, "");
195VARIABLE<kids_complex> NAME_WRAPPER(integrator::ww_A, &shape_P, "");
196VARIABLE<kids_complex> NAME_WRAPPER(integrator::ww_D, &shape_P, "");
197VARIABLE<kids_complex> NAME_WRAPPER(integrator::wz_A, &shape_P, "");
198VARIABLE<kids_complex> NAME_WRAPPER(integrator::wz_D, &shape_P, "");
199VARIABLE<kids_real> NAME_WRAPPER(integrator::x, &shape_PN, "");
200VARIABLE<kids_real> NAME_WRAPPER(integrator::xgrid, &shape_Nxgrid, "");
201VARIABLE<kids_bint> NAME_WRAPPER(iter::at_samplingstep_finally, &shape_1, "");
202VARIABLE<kids_bint> NAME_WRAPPER(iter::at_samplingstep_initially, &shape_1, "");
203VARIABLE<kids_real> NAME_WRAPPER(iter::dt, &shape_1, "");
204VARIABLE<kids_int> NAME_WRAPPER(iter::dtsize, &shape_1, "");
205VARIABLE<kids_int> NAME_WRAPPER(iter::fail_type, &shape_1, "");
206VARIABLE<kids_bint> NAME_WRAPPER(iter::frez, &shape_1, "");
207VARIABLE<kids_int> NAME_WRAPPER(iter::isamp, &shape_1, "");
208VARIABLE<kids_int> NAME_WRAPPER(iter::istep, &shape_1, "");
209VARIABLE<kids_bint> NAME_WRAPPER(iter::last_attempt, &shape_1, "");
210VARIABLE<kids_int> NAME_WRAPPER(iter::msize, &shape_1, "");
211VARIABLE<kids_int> NAME_WRAPPER(iter::nsamp, &shape_1, "");
212VARIABLE<kids_int> NAME_WRAPPER(iter::nstep, &shape_1, "");
213VARIABLE<kids_int> NAME_WRAPPER(iter::sstep, &shape_1, "");
214VARIABLE<kids_bint> NAME_WRAPPER(iter::succ, &shape_1, "");
215VARIABLE<kids_real> NAME_WRAPPER(iter::t, &shape_1, "");
216VARIABLE<kids_int> NAME_WRAPPER(iter::tsize, &shape_1, "");
217VARIABLE<kids_real> NAME_WRAPPER(last::Etot, &shape_P, "total energy in last step");
218VARIABLE<kids_complex> NAME_WRAPPER(last::c, &shape_PF, "");
219VARIABLE<kids_real> NAME_WRAPPER(last::dV, &shape_PNFF, "");
220VARIABLE<kids_real> NAME_WRAPPER(last::g, &shape_P, "");
221VARIABLE<kids_real> NAME_WRAPPER(last::grad, &shape_PN, "");
222VARIABLE<kids_real> NAME_WRAPPER(last::p, &shape_PN, "");
223VARIABLE<kids_real> NAME_WRAPPER(last::x, &shape_PN, "");
224VARIABLE<kids_real> NAME_WRAPPER(model::Hsys, &shape_FF, "system part of Hamiltonian");
225VARIABLE<kids_real> NAME_WRAPPER(model::Tmod, &shape_NN, "normalmode transformation");
226VARIABLE<kids_real> NAME_WRAPPER(model::V, &shape_PFF, "diabatic potential of energy matrix");
227VARIABLE<kids_int> NAME_WRAPPER(model::atoms, &shape_N, "atom indices");
228VARIABLE<kids_real> NAME_WRAPPER(model::bath::coeffs, &shape_Nb, "");
229VARIABLE<kids_real> NAME_WRAPPER(model::bath::omegas, &shape_Nb, "");
230VARIABLE<kids_real> NAME_WRAPPER(model::bath::p_sigma, &shape_Nb, "");
231VARIABLE<kids_real> NAME_WRAPPER(model::bath::x_sigma, &shape_Nb, "");
232VARIABLE<kids_real> NAME_WRAPPER(model::coupling::CL, &shape_X, "");
233VARIABLE<kids_real> NAME_WRAPPER(model::coupling::Q, &shape_X, "");
234VARIABLE<kids_real> NAME_WRAPPER(model::coupling::QL, &shape_X, "");
235VARIABLE<kids_real> NAME_WRAPPER(model::coupling::Xnj, &shape_NFF, "");
236VARIABLE<kids_real> NAME_WRAPPER(model::dV, &shape_PNFF, "");
237VARIABLE<kids_real> NAME_WRAPPER(model::ddV, &shape_NNFF, "");
238VARIABLE<kids_real> NAME_WRAPPER(model::f_p, &shape_X, "");
239VARIABLE<kids_real> NAME_WRAPPER(model::f_r, &shape_X, "");
240VARIABLE<kids_real> NAME_WRAPPER(model::f_rp, &shape_X, "");
241VARIABLE<kids_real> NAME_WRAPPER(model::grad, &shape_PN, "");
242VARIABLE<kids_real> NAME_WRAPPER(model::hess, &shape_PNN, "");
243VARIABLE<kids_real> NAME_WRAPPER(model::kcoeff, &shape_X, "");
244VARIABLE<kids_real> NAME_WRAPPER(model::lcoeff, &shape_X, "");
245VARIABLE<kids_real> NAME_WRAPPER(model::mass, &shape_N, "");
246VARIABLE<kids_real> NAME_WRAPPER(model::p0, &shape_N, "");
247VARIABLE<kids_real> NAME_WRAPPER(model::p_sigma, &shape_N, "");
248VARIABLE<kids_real> NAME_WRAPPER(model::rep::E, &shape_PF, "");
249VARIABLE<kids_complex> NAME_WRAPPER(model::rep::H, &shape_PFF, "");
250VARIABLE<kids_real> NAME_WRAPPER(model::rep::L, &shape_PF, "");
251VARIABLE<kids_complex> NAME_WRAPPER(model::rep::R, &shape_PFF, "");
252VARIABLE<kids_real> NAME_WRAPPER(model::rep::T, &shape_PFF, "");
253VARIABLE<kids_real> NAME_WRAPPER(model::rep::Told, &shape_PFF, "");
254VARIABLE<kids_real> NAME_WRAPPER(model::rep::dE, &shape_PNFF, "");
255VARIABLE<kids_real> NAME_WRAPPER(model::rep::ddE, &shape_NNFF, "");
256VARIABLE<kids_real> NAME_WRAPPER(model::rep::nac, &shape_NFF, "");
257VARIABLE<kids_real> NAME_WRAPPER(model::rep::nac_prev, &shape_NFF, "");
258VARIABLE<kids_real> NAME_WRAPPER(model::vpes, &shape_P, "scalar potential of energy");
259VARIABLE<kids_real> NAME_WRAPPER(model::w, &shape_N, "");
260VARIABLE<kids_real> NAME_WRAPPER(model::x0, &shape_N, "initial cencter of coordinate");
261VARIABLE<kids_real> NAME_WRAPPER(model::x_sigma, &shape_N, "initial width of coordinate");
262VARIABLE<kids_int> NAME_WRAPPER(random::seed, &shape_X, "");
263}; // namespace DATA
264
265}; // namespace PROJECT_NS
PROJECT_NS::Shape
Shape class provide information about of a Tensor's shape.
Definition Shape.h:50
PROJECT_NS::Shape::static_build
void static_build()
Definition Shape.h:90
PROJECT_NS::VARIABLE_BASE::_LIST
static std::vector< VARIABLE_BASE * > _LIST
Definition Variable.h:43
PROJECT_NS::VARIABLE
Definition Variable.h:54
PROJECT_NS::DATA::init::Etot
VARIABLE< kids_real > Etot
PROJECT_NS::DATA::init::p
VARIABLE< kids_real > p
PROJECT_NS::DATA::init::x
VARIABLE< kids_real > x
PROJECT_NS::DATA::integrator::GWP::Sx
VARIABLE< kids_complex > Sx
PROJECT_NS::DATA::integrator::GWP::S2
VARIABLE< kids_complex > S2
PROJECT_NS::DATA::integrator::GWP::S2h
VARIABLE< kids_complex > S2h
PROJECT_NS::DATA::integrator::GWP::invS1h
VARIABLE< kids_complex > invS1h
PROJECT_NS::DATA::integrator::GWP::R2
VARIABLE< kids_complex > R2
PROJECT_NS::DATA::integrator::GWP::L1
VARIABLE< kids_real > L1
PROJECT_NS::DATA::integrator::GWP::R
VARIABLE< kids_complex > R
PROJECT_NS::DATA::integrator::GWP::S1
VARIABLE< kids_complex > S1
PROJECT_NS::DATA::integrator::GWP::R1
VARIABLE< kids_complex > R1
PROJECT_NS::DATA::integrator::GWP::S1h
VARIABLE< kids_complex > S1h
PROJECT_NS::DATA::integrator::GWP::L2
VARIABLE< kids_real > L2
PROJECT_NS::DATA::integrator::GWP::L
VARIABLE< kids_real > L
PROJECT_NS::DATA::integrator::GWP::invS2h
VARIABLE< kids_complex > invS2h
PROJECT_NS::DATA::integrator::nhc::G
VARIABLE< kids_real > G
PROJECT_NS::DATA::integrator::nhc::x
VARIABLE< kids_real > x
PROJECT_NS::DATA::integrator::nhc::p
VARIABLE< kids_real > p
PROJECT_NS::DATA::integrator::nhc::Q
VARIABLE< kids_real > Q
PROJECT_NS::DATA::integrator::param::c2p
VARIABLE< kids_real > c2p
PROJECT_NS::DATA::integrator::param::c1
VARIABLE< kids_real > c1
PROJECT_NS::DATA::integrator::tmp::direction
VARIABLE< kids_real > direction
PROJECT_NS::DATA::integrator::tmp::MatC_PP
VARIABLE< kids_complex > MatC_PP
PROJECT_NS::DATA::integrator::tmp::MatR_PP
VARIABLE< kids_real > MatR_PP
PROJECT_NS::DATA::integrator::tmp::fun_diag_F
VARIABLE< kids_complex > fun_diag_F
PROJECT_NS::DATA::integrator::tmp::fun_diag_P
VARIABLE< kids_complex > fun_diag_P
PROJECT_NS::DATA::integrator::tmp::I_PP
VARIABLE< kids_complex > I_PP
PROJECT_NS::DATA::integrator::tmp::TtTold
VARIABLE< kids_real > TtTold
PROJECT_NS::DATA::integrator::tmp::invexpidiagdt
VARIABLE< kids_complex > invexpidiagdt
PROJECT_NS::DATA::integrator::tmp::ve
VARIABLE< kids_real > ve
PROJECT_NS::DATA::integrator::tmp::wrho
VARIABLE< kids_complex > wrho
PROJECT_NS::DATA::integrator::tmp::vedE
VARIABLE< kids_real > vedE
PROJECT_NS::DATA::integrator::tmp::fproj
VARIABLE< kids_real > fproj
PROJECT_NS::DATA::integrator::tmp::ftmp
VARIABLE< kids_real > ftmp
PROJECT_NS::DATA::integrator::f
VARIABLE< kids_real > f
PROJECT_NS::DATA::integrator::K1QA
VARIABLE< kids_complex > K1QA
PROJECT_NS::DATA::integrator::UXdt
VARIABLE< kids_complex > UXdt
PROJECT_NS::DATA::integrator::sqcIA
VARIABLE< kids_real > sqcIA
PROJECT_NS::DATA::integrator::w_CP
VARIABLE< kids_complex > w_CP
PROJECT_NS::DATA::integrator::pf_cross
VARIABLE< kids_bint > pf_cross
PROJECT_NS::DATA::integrator::rhored3
VARIABLE< kids_complex > rhored3
PROJECT_NS::DATA::integrator::Hcoeff
VARIABLE< kids_complex > Hcoeff
PROJECT_NS::DATA::integrator::K0
VARIABLE< kids_complex > K0
PROJECT_NS::DATA::integrator::UYdt
VARIABLE< kids_complex > UYdt
PROJECT_NS::DATA::integrator::norm
VARIABLE< kids_real > norm
PROJECT_NS::DATA::integrator::c1
VARIABLE< kids_real > c1
PROJECT_NS::DATA::integrator::K2DD
VARIABLE< kids_complex > K2DD
PROJECT_NS::DATA::integrator::p
VARIABLE< kids_real > p
PROJECT_NS::DATA::integrator::minv
VARIABLE< kids_real > minv
PROJECT_NS::DATA::integrator::U
VARIABLE< kids_complex > U
PROJECT_NS::DATA::integrator::OpB
VARIABLE< kids_complex > OpB
PROJECT_NS::DATA::integrator::Udt
VARIABLE< kids_complex > Udt
PROJECT_NS::DATA::integrator::K2QD
VARIABLE< kids_complex > K2QD
PROJECT_NS::DATA::integrator::clone_account
VARIABLE< kids_int > clone_account
PROJECT_NS::DATA::integrator::w
VARIABLE< kids_complex > w
PROJECT_NS::DATA::integrator::S
VARIABLE< kids_complex > S
PROJECT_NS::DATA::integrator::p_sign
VARIABLE< kids_complex > p_sign
PROJECT_NS::DATA::integrator::Epot
VARIABLE< kids_real > Epot
PROJECT_NS::DATA::integrator::P_used
VARIABLE< kids_real > P_used
PROJECT_NS::DATA::integrator::sqcwh
VARIABLE< kids_real > sqcwh
PROJECT_NS::DATA::integrator::Acoeff
VARIABLE< kids_complex > Acoeff
PROJECT_NS::DATA::integrator::w_DD
VARIABLE< kids_complex > w_DD
PROJECT_NS::DATA::integrator::rho_dual
VARIABLE< kids_complex > rho_dual
PROJECT_NS::DATA::integrator::alpha
VARIABLE< kids_real > alpha
PROJECT_NS::DATA::integrator::K1DD
VARIABLE< kids_complex > K1DD
PROJECT_NS::DATA::integrator::K2DA
VARIABLE< kids_complex > K2DA
PROJECT_NS::DATA::integrator::rhored
VARIABLE< kids_complex > rhored
PROJECT_NS::DATA::integrator::Xcoeff
VARIABLE< kids_complex > Xcoeff
PROJECT_NS::DATA::integrator::rho_ele
VARIABLE< kids_complex > rho_ele
PROJECT_NS::DATA::integrator::fadd
VARIABLE< kids_real > fadd
PROJECT_NS::DATA::integrator::Ubranch
VARIABLE< kids_complex > Ubranch
PROJECT_NS::DATA::integrator::invS
VARIABLE< kids_complex > invS
PROJECT_NS::DATA::integrator::m
VARIABLE< kids_real > m
PROJECT_NS::DATA::integrator::dtlnSnuc
VARIABLE< kids_complex > dtlnSnuc
PROJECT_NS::DATA::integrator::K1QD
VARIABLE< kids_complex > K1QD
PROJECT_NS::DATA::integrator::dtSele
VARIABLE< kids_complex > dtSele
PROJECT_NS::DATA::integrator::rho_nuc
VARIABLE< kids_complex > rho_nuc
PROJECT_NS::DATA::integrator::occ_nuc
VARIABLE< kids_int > occ_nuc
PROJECT_NS::DATA::integrator::ww_A
VARIABLE< kids_complex > ww_A
PROJECT_NS::DATA::integrator::K2
VARIABLE< kids_complex > K2
PROJECT_NS::DATA::integrator::Sele
VARIABLE< kids_complex > Sele
PROJECT_NS::DATA::integrator::veF
VARIABLE< kids_real > veF
PROJECT_NS::DATA::integrator::wz_A
VARIABLE< kids_complex > wz_A
PROJECT_NS::DATA::integrator::w_AD
VARIABLE< kids_complex > w_AD
PROJECT_NS::DATA::integrator::sqcw0
VARIABLE< kids_real > sqcw0
PROJECT_NS::DATA::integrator::Snuc
VARIABLE< kids_complex > Snuc
PROJECT_NS::DATA::integrator::E
VARIABLE< kids_real > E
PROJECT_NS::DATA::integrator::rhored2
VARIABLE< kids_complex > rhored2
PROJECT_NS::DATA::integrator::ww_D
VARIABLE< kids_complex > ww_D
PROJECT_NS::DATA::integrator::Hbasis
VARIABLE< kids_complex > Hbasis
PROJECT_NS::DATA::integrator::K1DA
VARIABLE< kids_complex > K1DA
PROJECT_NS::DATA::integrator::xgrid
VARIABLE< kids_real > xgrid
PROJECT_NS::DATA::integrator::Etot
VARIABLE< kids_real > Etot
PROJECT_NS::DATA::integrator::OpA
VARIABLE< kids_complex > OpA
PROJECT_NS::DATA::integrator::sqcID
VARIABLE< kids_real > sqcID
PROJECT_NS::DATA::integrator::sqcw
VARIABLE< kids_real > sqcw
PROJECT_NS::DATA::integrator::x
VARIABLE< kids_real > x
PROJECT_NS::DATA::integrator::dtAcoeff
VARIABLE< kids_complex > dtAcoeff
PROJECT_NS::DATA::integrator::K2QA
VARIABLE< kids_complex > K2QA
PROJECT_NS::DATA::integrator::K1
VARIABLE< kids_complex > K1
PROJECT_NS::DATA::integrator::c
VARIABLE< kids_complex > c
PROJECT_NS::DATA::integrator::Ekin
VARIABLE< kids_real > Ekin
PROJECT_NS::DATA::integrator::w_PP
VARIABLE< kids_complex > w_PP
PROJECT_NS::DATA::integrator::wz_D
VARIABLE< kids_complex > wz_D
PROJECT_NS::DATA::integrator::w_CC
VARIABLE< kids_complex > w_CC
PROJECT_NS::DATA::integrator::c2p
VARIABLE< kids_real > c2p
PROJECT_NS::DATA::integrator::w_AA
VARIABLE< kids_complex > w_AA
PROJECT_NS::DATA::integrator::g
VARIABLE< kids_real > g
PROJECT_NS::DATA::iter::dt
VARIABLE< kids_real > dt
PROJECT_NS::DATA::iter::frez
VARIABLE< kids_bint > frez
PROJECT_NS::DATA::iter::t
VARIABLE< kids_real > t
PROJECT_NS::DATA::iter::at_samplingstep_finally
VARIABLE< kids_bint > at_samplingstep_finally
PROJECT_NS::DATA::iter::sstep
VARIABLE< kids_int > sstep
PROJECT_NS::DATA::iter::at_samplingstep_initially
VARIABLE< kids_bint > at_samplingstep_initially
PROJECT_NS::DATA::iter::last_attempt
VARIABLE< kids_bint > last_attempt
PROJECT_NS::DATA::iter::nstep
VARIABLE< kids_int > nstep
PROJECT_NS::DATA::iter::istep
VARIABLE< kids_int > istep
PROJECT_NS::DATA::iter::dtsize
VARIABLE< kids_int > dtsize
PROJECT_NS::DATA::iter::tsize
VARIABLE< kids_int > tsize
PROJECT_NS::DATA::iter::isamp
VARIABLE< kids_int > isamp
PROJECT_NS::DATA::iter::fail_type
VARIABLE< kids_int > fail_type
PROJECT_NS::DATA::iter::nsamp
VARIABLE< kids_int > nsamp
PROJECT_NS::DATA::iter::succ
VARIABLE< kids_bint > succ
PROJECT_NS::DATA::iter::msize
VARIABLE< kids_int > msize
PROJECT_NS::DATA::last::p
VARIABLE< kids_real > p
PROJECT_NS::DATA::last::g
VARIABLE< kids_real > g
PROJECT_NS::DATA::last::Etot
VARIABLE< kids_real > Etot
PROJECT_NS::DATA::last::c
VARIABLE< kids_complex > c
PROJECT_NS::DATA::last::grad
VARIABLE< kids_real > grad
PROJECT_NS::DATA::last::x
VARIABLE< kids_real > x
PROJECT_NS::DATA::last::dV
VARIABLE< kids_real > dV
PROJECT_NS::DATA::model::bath::p_sigma
VARIABLE< kids_real > p_sigma
PROJECT_NS::DATA::model::bath::x_sigma
VARIABLE< kids_real > x_sigma
PROJECT_NS::DATA::model::bath::omegas
VARIABLE< kids_real > omegas
PROJECT_NS::DATA::model::bath::coeffs
VARIABLE< kids_real > coeffs
PROJECT_NS::DATA::model::coupling::QL
VARIABLE< kids_real > QL
PROJECT_NS::DATA::model::coupling::Xnj
VARIABLE< kids_real > Xnj
PROJECT_NS::DATA::model::coupling::Q
VARIABLE< kids_real > Q
PROJECT_NS::DATA::model::coupling::CL
VARIABLE< kids_real > CL
PROJECT_NS::DATA::model::rep::Told
VARIABLE< kids_real > Told
PROJECT_NS::DATA::model::rep::dE
VARIABLE< kids_real > dE
PROJECT_NS::DATA::model::rep::E
VARIABLE< kids_real > E
PROJECT_NS::DATA::model::rep::L
VARIABLE< kids_real > L
PROJECT_NS::DATA::model::rep::T
VARIABLE< kids_real > T
PROJECT_NS::DATA::model::rep::R
VARIABLE< kids_complex > R
PROJECT_NS::DATA::model::rep::nac
VARIABLE< kids_real > nac
PROJECT_NS::DATA::model::rep::nac_prev
VARIABLE< kids_real > nac_prev
PROJECT_NS::DATA::model::rep::ddE
VARIABLE< kids_real > ddE
PROJECT_NS::DATA::model::rep::H
VARIABLE< kids_complex > H
PROJECT_NS::DATA::model::Tmod
VARIABLE< kids_real > Tmod
PROJECT_NS::DATA::model::f_r
VARIABLE< kids_real > f_r
PROJECT_NS::DATA::model::hess
VARIABLE< kids_real > hess
PROJECT_NS::DATA::model::f_p
VARIABLE< kids_real > f_p
PROJECT_NS::DATA::model::p_sigma
VARIABLE< kids_real > p_sigma
PROJECT_NS::DATA::model::vpes
VARIABLE< kids_real > vpes
PROJECT_NS::DATA::model::lcoeff
VARIABLE< kids_real > lcoeff
PROJECT_NS::DATA::model::atoms
VARIABLE< kids_int > atoms
PROJECT_NS::DATA::model::V
VARIABLE< kids_real > V
PROJECT_NS::DATA::model::ddV
VARIABLE< kids_real > ddV
PROJECT_NS::DATA::model::p0
VARIABLE< kids_real > p0
PROJECT_NS::DATA::model::dV
VARIABLE< kids_real > dV
PROJECT_NS::DATA::model::x_sigma
VARIABLE< kids_real > x_sigma
PROJECT_NS::DATA::model::Hsys
VARIABLE< kids_real > Hsys
PROJECT_NS::DATA::model::x0
VARIABLE< kids_real > x0
PROJECT_NS::DATA::model::w
VARIABLE< kids_real > w
PROJECT_NS::DATA::model::kcoeff
VARIABLE< kids_real > kcoeff
PROJECT_NS::DATA::model::grad
VARIABLE< kids_real > grad
PROJECT_NS::DATA::model::mass
VARIABLE< kids_real > mass
PROJECT_NS::DATA::model::f_rp
VARIABLE< kids_real > f_rp
PROJECT_NS::DATA::random::seed
VARIABLE< kids_int > seed
PROJECT_NS::Dimension::PN
std::size_t PN
Product of P and N (P * N).
Definition vars_list.cpp:14
PROJECT_NS::Dimension::shape_2
Shape shape_2
Shape corresponding to two elements (2).
PROJECT_NS::Dimension::shape_P
Shape shape_P
Shape for the number of parallel trajectories (P).
PROJECT_NS::Dimension::PNFF
std::size_t PNFF
Product of P, N, F, and F (P * N * F * F).
Definition vars_list.cpp:18
PROJECT_NS::Dimension::NFF
std::size_t NFF
Product of N, F, and F (N * F * F).
Definition vars_list.cpp:22
PROJECT_NS::Dimension::N
std::size_t N
Number of nuclear degrees of freedom.
Definition vars_list.cpp:10
PROJECT_NS::Dimension::PF
std::size_t PF
Product of P and F (P * F).
Definition vars_list.cpp:16
PROJECT_NS::Dimension::PFF
std::size_t PFF
Product of P, F, and F (P * F * F).
Definition vars_list.cpp:17
PROJECT_NS::Dimension::PNN
std::size_t PNN
Product of P, N, and N (P * N * N).
Definition vars_list.cpp:15
PROJECT_NS::Dimension::P
std::size_t P
Number of parallel trajectories (swarms of trajectories) in each Monte Carlo run.
Definition vars_list.cpp:9
PROJECT_NS::Dimension::NNFF
std::size_t NNFF
Product of N, N, F, and F (N * N * F * F).
Definition vars_list.cpp:23
PROJECT_NS::Dimension::shape_M
Shape shape_M
Shape for the number of Monte Carlo calculations (M).
PROJECT_NS::Dimension::NN
std::size_t NN
Product of N and N (N * N).
Definition vars_list.cpp:20
PROJECT_NS::Dimension::shape_FF
Shape shape_FF
Shape for the product of F and F (F * F).
PROJECT_NS::Dimension::shape_F
Shape shape_F
Shape for the number of electronic degrees of freedom (F).
PROJECT_NS::Dimension::shape_PNFF
Shape shape_PNFF
Shape for the product of P, N, F, and F (P * N * F * F).
PROJECT_NS::Dimension::shape_PN
Shape shape_PN
Shape for the product of P and N (P * N).
PROJECT_NS::Dimension::M
std::size_t M
Number of Monte Carlo calculations.
Definition vars_list.cpp:8
PROJECT_NS::Dimension::shape_NNFF
Shape shape_NNFF
Shape for the product of N, N, F, and F (N * N * F * F).
PROJECT_NS::Dimension::F
std::size_t F
Number of electronic degrees of freedom.
Definition vars_list.cpp:11
PROJECT_NS::Dimension::shape_NN
Shape shape_NN
Shape for the product of N and N (N * N).
PROJECT_NS::Dimension::Fadd1
std::size_t Fadd1
F plus 1 (F + 1).
Definition vars_list.cpp:24
PROJECT_NS::Dimension::shape_X
Shape shape_X
Shape for an arbitrary number of elements.
PROJECT_NS::Dimension::shape_Nb
Shape shape_Nb(1)
PROJECT_NS::Dimension::shape_N
Shape shape_N
Shape for the number of nuclear degrees of freedom (N).
PROJECT_NS::Dimension::shape_PF
Shape shape_PF
Shape for the product of P and F (P * F).
PROJECT_NS::Dimension::shape_PP
Shape shape_PP
Shape for the product of P and P (P * P).
PROJECT_NS::Dimension::FF
std::size_t FF
Product of F and F (F * F).
Definition vars_list.cpp:21
PROJECT_NS::Dimension::shape_NFF
Shape shape_NFF
Shape for the product of N, F, and F (N * F * F).
PROJECT_NS::Dimension::PP
std::size_t PP
Product of P and P (P * P).
Definition vars_list.cpp:13
PROJECT_NS::Dimension::shape_MP
Shape shape_MP
Shape for the product of M and P (M * P).
PROJECT_NS::Dimension::sh_ref
std::vector< std::size_t * > sh_ref
Definition vars_list.cpp:26
PROJECT_NS::Dimension::shape_PNN
Shape shape_PNN
Shape for the product of P, N, and N (P * N * N).
PROJECT_NS::Dimension::shape_PFF
Shape shape_PFF
Shape for the product of P, F, and F (P * F * F).
PROJECT_NS::Dimension::shape_1
Shape shape_1
Shape corresponding to a single element (1).
PROJECT_NS::Dimension::NF
std::size_t NF
Product of N and F (N * F).
Definition vars_list.cpp:19
PROJECT_NS::Dimension::MP
std::size_t MP
Product of M and P (M * P).
Definition vars_list.cpp:12
PROJECT_NS::Dimension::shape_Fadd1
Shape shape_Fadd1
Shape for F plus 1 (F + 1).
PROJECT_NS::Dimension::shape_NF
Shape shape_NF
Shape for the product of N and F (N * F).
PROJECT_NS::Dimension::static_build_shapes
void static_build_shapes()
Definition vars_list.cpp:50
PROJECT_NS::Dimension::shape_Nxgrid
Shape shape_Nxgrid(1)
PROJECT_NS
< http://warp.povusers.org/FunctionParser/fparser.html
Definition Context.h:39
NAME_WRAPPER
#define NAME_WRAPPER(name, shape, doc_string)
Definition vars_list.cpp:87
vars_list.h
declaration of variables used in the program.