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PeizeLinPeizeLin
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Merge branch 'loop3' of ../LibRI_loop3_RPA into loop3
2 parents 6c132eb + 2097fa6 commit 5f0f96e

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11 files changed

+540
-352
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‎include/RI/global/Tensor_Multiply-23.hpp‎

Lines changed: 34 additions & 31 deletions
Original file line numberDiff line numberDiff line change
@@ -1,31 +1,34 @@
1-
// ===================
2-
// Author: Peize Lin
3-
// date: 2023.08.03
4-
// ===================
5-
6-
#pragma once
7-
8-
#include "Tensor_Multiply.h"
9-
10-
namespace RI
11-
{
12-
13-
namespace Tensor_Multiply
14-
{
15-
// Txy(x1,y0,y1) = Tx(a,x1) * Ty(y0,y1,a)
16-
template<typename Tdata>
17-
Tensor<Tdata> x1y0y1_x0y2(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
18-
{
19-
assert(Tx.shape.size()==2);
20-
assert(Ty.shape.size()==3);
21-
const std::size_t y01 = Ty.shape[0] * Ty.shape[1];
22-
Tensor<Tdata> Txy({Tx.shape[1], Ty.shape[0], Ty.shape[1]});
23-
Blas_Interface::gemm(
24-
'T', 'T', Tx.shape[1], y01, Tx.shape[0],
25-
Tdata(1.0), Tx.ptr(), Ty.ptr(),
26-
Tdata(0.0), Txy.ptr());
27-
return Txy;
28-
}
29-
}
30-
31-
}
1+
// ===================
2+
// Author: Peize Lin
3+
// date: 2023.08.03
4+
// ===================
5+
6+
#pragma once
7+
8+
#include "Tensor_Multiply.h"
9+
10+
namespace RI
11+
{
12+
13+
namespace Tensor_Multiply
14+
{
15+
// Txy(x1,y0,y1) = Tx(a,x1) * Ty(y0,y1,a)
16+
template<typename Tdata>
17+
Tensor<Tdata> x1y0y1_ax1_y0y1a(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
18+
{
19+
assert(Tx.shape.size()==2);
20+
assert(Ty.shape.size()==3);
21+
Tensor<Tdata> Txy({Tx.shape[1], Ty.shape[0], Ty.shape[1]});
22+
Blas_Interface::gemm(
23+
'T', 'T',
24+
Tx.shape[1],
25+
Ty.shape[0] * Ty.shape[1],
26+
Tx.shape[0],
27+
Tdata(1.0), Tx.ptr(), Ty.ptr(),
28+
Tdata(0.0), Txy.ptr());
29+
return Txy;
30+
}
31+
32+
}
33+
34+
}

‎include/RI/global/Tensor_Multiply-32.hpp‎

Lines changed: 85 additions & 78 deletions
Original file line numberDiff line numberDiff line change
@@ -1,78 +1,85 @@
1-
// ===================
2-
// Author: Peize Lin
3-
// date: 2023.08.03
4-
// ===================
5-
6-
#pragma once
7-
8-
#include "Tensor_Multiply.h"
9-
10-
namespace RI
11-
{
12-
13-
namespace Tensor_Multiply
14-
{
15-
// Txy(x1,x2,y1) = Tx(a,x1,x2) * Ty(a,y1)
16-
template<typename Tdata>
17-
Tensor<Tdata> x1x2y1_x0y0(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
18-
{
19-
assert(Tx.shape.size()==3);
20-
assert(Ty.shape.size()==2);
21-
assert(Tx.shape[0]==Ty.shape[0]);
22-
const std::size_t x12 = Tx.shape[1] * Tx.shape[2];
23-
Tensor<Tdata> Txy({Tx.shape[1], Tx.shape[2], Ty.shape[1]});
24-
Blas_Interface::gemm(
25-
'T', 'N', x12, Ty.shape[1], Tx.shape[0],
26-
Tdata(1.0), Tx.ptr(), Ty.ptr(),
27-
Tdata(0.0), Txy.ptr());
28-
return Txy;
29-
}
30-
31-
// Txy(x0,x1,y0) = Tx(x0,x1,a) * Ty(y0,a)
32-
template<typename Tdata>
33-
Tensor<Tdata> x0x1y0_x2y1(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
34-
{
35-
assert(Tx.shape.size()==3);
36-
assert(Ty.shape.size()==2);
37-
assert(Tx.shape[2]==Ty.shape[1]);
38-
const std::size_t x01 = Tx.shape[0] * Tx.shape[1];
39-
Tensor<Tdata> Txy({Tx.shape[0], Tx.shape[1], Ty.shape[0]});
40-
Blas_Interface::gemm(
41-
'N', 'T', x01, Ty.shape[0], Tx.shape[2],
42-
Tdata(1.0), Tx.ptr(), Ty.ptr(),
43-
Tdata(0.0), Txy.ptr());
44-
return Txy;
45-
}
46-
47-
// Txy(x1,x2,y0) = Tx(a,x1,x2) * Ty(y0,a)
48-
template<typename Tdata>
49-
Tensor<Tdata> x1x2y0_x0y1(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
50-
{
51-
assert(Tx.shape.size()==3);
52-
assert(Ty.shape.size()==2);
53-
const std::size_t x12 = Tx.shape[1] * Tx.shape[2];
54-
Tensor<Tdata> Txy({Tx.shape[1], Tx.shape[2], Ty.shape[0]});
55-
Blas_Interface::gemm(
56-
'T', 'T', x12, Ty.shape[0], Tx.shape[0],
57-
Tdata(1.0), Tx.ptr(), Ty.ptr(),
58-
Tdata(0.0), Txy.ptr());
59-
return Txy;
60-
}
61-
62-
// Txy(x0,x1,y1) = Tx(x0,x1,a) * Ty(a,y1)
63-
template<typename Tdata>
64-
Tensor<Tdata> x0x1y1_x2y0(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
65-
{
66-
assert(Tx.shape.size()==3);
67-
assert(Ty.shape.size()==2);
68-
const std::size_t x01 = Tx.shape[0] * Tx.shape[1];
69-
Tensor<Tdata> Txy({Tx.shape[0], Tx.shape[1], Ty.shape[1]});
70-
Blas_Interface::gemm(
71-
'N', 'N', x01, Ty.shape[1], Tx.shape[2],
72-
Tdata(1.0), Tx.ptr(), Ty.ptr(),
73-
Tdata(0.0), Txy.ptr());
74-
return Txy;
75-
}
76-
}
77-
78-
}
1+
// ===================
2+
// Author: Peize Lin
3+
// date: 2023.08.03
4+
// ===================
5+
6+
#pragma once
7+
8+
#include "Tensor_Multiply.h"
9+
10+
namespace RI
11+
{
12+
13+
namespace Tensor_Multiply
14+
{
15+
// Txy(x1,x2,y1) = Tx(a,x1,x2) * Ty(a,y1)
16+
template<typename Tdata>
17+
Tensor<Tdata> x1x2y1_ax1x2_ay1(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
18+
{
19+
assert(Tx.shape.size()==3);
20+
assert(Ty.shape.size()==2);
21+
Tensor<Tdata> Txy({Tx.shape[1], Tx.shape[2], Ty.shape[1]});
22+
Blas_Interface::gemm(
23+
'T', 'N',
24+
Tx.shape[1] * Tx.shape[2],
25+
Ty.shape[1],
26+
Tx.shape[0],
27+
Tdata(1.0), Tx.ptr(), Ty.ptr(),
28+
Tdata(0.0), Txy.ptr());
29+
return Txy;
30+
}
31+
32+
// Txy(x0,x1,y0) = Tx(x0,x1,a) * Ty(y0,a)
33+
template<typename Tdata>
34+
Tensor<Tdata> x0x1y0_x0x1a_y0a(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
35+
{
36+
assert(Tx.shape.size()==3);
37+
assert(Ty.shape.size()==2);
38+
Tensor<Tdata> Txy({Tx.shape[0], Tx.shape[1], Ty.shape[0]});
39+
Blas_Interface::gemm(
40+
'N', 'T',
41+
Tx.shape[0] * Tx.shape[1],
42+
Ty.shape[0],
43+
Tx.shape[2],
44+
Tdata(1.0), Tx.ptr(), Ty.ptr(),
45+
Tdata(0.0), Txy.ptr());
46+
return Txy;
47+
}
48+
49+
// Txy(x1,x2,y0) = Tx(a,x1,x2) * Ty(y0,a)
50+
template<typename Tdata>
51+
Tensor<Tdata> x1x2y0_ax1x2_y0a(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
52+
{
53+
assert(Tx.shape.size()==3);
54+
assert(Ty.shape.size()==2);
55+
Tensor<Tdata> Txy({Tx.shape[1], Tx.shape[2], Ty.shape[0]});
56+
Blas_Interface::gemm(
57+
'T', 'T',
58+
Tx.shape[1] * Tx.shape[2],
59+
Ty.shape[0],
60+
Tx.shape[0],
61+
Tdata(1.0), Tx.ptr(), Ty.ptr(),
62+
Tdata(0.0), Txy.ptr());
63+
return Txy;
64+
}
65+
66+
// Txy(x0,x1,y1) = Tx(x0,x1,a) * Ty(a,y1)
67+
template<typename Tdata>
68+
Tensor<Tdata> x0x1y1_x0x1a_ay1(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
69+
{
70+
assert(Tx.shape.size()==3);
71+
assert(Ty.shape.size()==2);
72+
Tensor<Tdata> Txy({Tx.shape[0], Tx.shape[1], Ty.shape[1]});
73+
Blas_Interface::gemm(
74+
'N', 'N',
75+
Tx.shape[0] * Tx.shape[1],
76+
Ty.shape[1],
77+
Tx.shape[2],
78+
Tdata(1.0), Tx.ptr(), Ty.ptr(),
79+
Tdata(0.0), Txy.ptr());
80+
return Txy;
81+
}
82+
83+
}
84+
85+
}

‎include/RI/global/Tensor_Multiply-33.hpp‎

Lines changed: 51 additions & 50 deletions
Original file line numberDiff line numberDiff line change
@@ -1,50 +1,51 @@
1-
// ===================
2-
// Author: Peize Lin
3-
// date: 2023.08.03
4-
// ===================
5-
6-
#pragma once
7-
8-
#include "Tensor_Multiply.h"
9-
10-
namespace RI
11-
{
12-
13-
namespace Tensor_Multiply
14-
{
15-
// Txy(x0,y2) = Tx(x0,a,b) * Ty(a,b,y2)
16-
template<typename Tdata>
17-
Tensor<Tdata> x0y2_x1y0_x2y1(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
18-
{
19-
assert(Tx.shape.size()==3);
20-
assert(Ty.shape.size()==3);
21-
assert(Tx.shape[1]==Ty.shape[0]);
22-
assert(Tx.shape[2]==Ty.shape[1]);
23-
const std::size_t x12 = Tx.shape[1] * Tx.shape[2];
24-
Tensor<Tdata> Txy({Tx.shape[0], Ty.shape[2]});
25-
Blas_Interface::gemm(
26-
'N', 'N', Tx.shape[0], Ty.shape[2], x12,
27-
Tdata(1.0), Tx.ptr(), Ty.ptr(),
28-
Tdata(0.0), Txy.ptr());
29-
return Txy;
30-
}
31-
32-
// Txy(x2,y0) = Tx(a,b,x2) * Ty(y0,a,b)
33-
template<typename Tdata>
34-
Tensor<Tdata> x2y0_x0y1_x1y2(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
35-
{
36-
assert(Tx.shape.size()==3);
37-
assert(Ty.shape.size()==3);
38-
assert(Tx.shape[0]==Ty.shape[1]);
39-
assert(Tx.shape[1]==Ty.shape[2]);
40-
const std::size_t x01 = Tx.shape[0] * Tx.shape[1];
41-
Tensor<Tdata> Txy({Tx.shape[2], Ty.shape[0]});
42-
Blas_Interface::gemm(
43-
'T', 'T', Tx.shape[2], Ty.shape[0], x01,
44-
Tdata(1.0), Tx.ptr(), Ty.ptr(),
45-
Tdata(0.0), Txy.ptr());
46-
return Txy;
47-
}
48-
}
49-
50-
}
1+
// ===================
2+
// Author: Peize Lin
3+
// date: 2023.08.03
4+
// ===================
5+
6+
#pragma once
7+
8+
#include "Tensor_Multiply.h"
9+
10+
namespace RI
11+
{
12+
13+
namespace Tensor_Multiply
14+
{
15+
// Txy(x0,y2) = Tx(x0,a,b) * Ty(a,b,y2)
16+
template<typename Tdata>
17+
Tensor<Tdata> x0y2_x0ab_aby2(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
18+
{
19+
assert(Tx.shape.size()==3);
20+
assert(Ty.shape.size()==3);
21+
Tensor<Tdata> Txy({Tx.shape[0], Ty.shape[2]});
22+
Blas_Interface::gemm(
23+
'N', 'N',
24+
Tx.shape[0],
25+
Ty.shape[2],
26+
Tx.shape[1] * Tx.shape[2],
27+
Tdata(1.0), Tx.ptr(), Ty.ptr(),
28+
Tdata(0.0), Txy.ptr());
29+
return Txy;
30+
}
31+
32+
// Txy(x2,y0) = Tx(a,b,x2) * Ty(y0,a,b)
33+
template<typename Tdata>
34+
Tensor<Tdata> x2y0_abx2_y0ab(const Tensor<Tdata> &Tx, const Tensor<Tdata> &Ty)
35+
{
36+
assert(Tx.shape.size()==3);
37+
assert(Ty.shape.size()==3);
38+
Tensor<Tdata> Txy({Tx.shape[2], Ty.shape[0]});
39+
Blas_Interface::gemm(
40+
'T', 'T',
41+
Tx.shape[2],
42+
Ty.shape[0],
43+
Tx.shape[0] * Tx.shape[1],
44+
Tdata(1.0), Tx.ptr(), Ty.ptr(),
45+
Tdata(0.0), Txy.ptr());
46+
return Txy;
47+
}
48+
49+
}
50+
51+
}

‎include/RI/physics/RPA.hpp‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -64,7 +64,7 @@ void RPA<TA,Tcell,Ndim,Tdata>::cal_chi0s(
6464

6565
set_Gs_a1(Gs_tau_positive);
6666
set_Gs_a2(Gs_tau_negative);
67-
this->lri.cal({
67+
this->lri.cal_loop3({
6868
Label::ab_ab::a1b1_a2b2,
6969
Label::ab_ab::a1b2_a2b1},
7070
chi0s_vec);
@@ -73,7 +73,7 @@ void RPA<TA,Tcell,Ndim,Tdata>::cal_chi0s(
7373
set_Gs_a2(Gs_tau_positive); // tmp
7474
//set_Gs_a1(conj(Gs_tau_negative));
7575
//set_Gs_a2(conj(Gs_tau_positive));
76-
this->lri.cal({
76+
this->lri.cal_loop3({
7777
Label::ab_ab::a1b1_a2b2,
7878
Label::ab_ab::a1b2_a2b1},
7979
chi0s_vec);

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