Skip to content

Commit eac0957

Browse files
brucefan1983brucefan1983
committed
update ref and else if
1 parent b842ad4 commit eac0957

5 files changed

Lines changed: 113 additions & 113 deletions

File tree

‎src/force/dftd3.cu‎

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -484,15 +484,15 @@ __device__ int find_neighbor_cell(
484484
int neighbor_cell = cell_id + zz * nx * ny + yy * nx + xx;
485485
if (cell_id_x + xx < 0)
486486
neighbor_cell += nx;
487-
if (cell_id_x + xx >= nx)
487+
else if (cell_id_x + xx >= nx)
488488
neighbor_cell -= nx;
489489
if (cell_id_y + yy < 0)
490490
neighbor_cell += ny * nx;
491-
if (cell_id_y + yy >= ny)
491+
else if (cell_id_y + yy >= ny)
492492
neighbor_cell -= ny * nx;
493493
if (cell_id_z + zz < 0)
494494
neighbor_cell += nz * ny * nx;
495-
if (cell_id_z + zz >= nz)
495+
else if (cell_id_z + zz >= nz)
496496
neighbor_cell -= nz * ny * nx;
497497

498498
return neighbor_cell;

‎src/force/nep.cu‎

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -464,15 +464,15 @@ static __global__ void find_neighbor_list_large_box(
464464
int neighbor_cell = cell_id + zz * nx * ny + yy * nx + xx;
465465
if (cell_id_x + xx < 0)
466466
neighbor_cell += nx;
467-
if (cell_id_x + xx >= nx)
467+
else if (cell_id_x + xx >= nx)
468468
neighbor_cell -= nx;
469469
if (cell_id_y + yy < 0)
470470
neighbor_cell += ny * nx;
471-
if (cell_id_y + yy >= ny)
471+
else if (cell_id_y + yy >= ny)
472472
neighbor_cell -= ny * nx;
473473
if (cell_id_z + zz < 0)
474474
neighbor_cell += nz * ny * nx;
475-
if (cell_id_z + zz >= nz)
475+
else if (cell_id_z + zz >= nz)
476476
neighbor_cell -= nz * ny * nx;
477477

478478
const int num_atoms_neighbor_cell = g_cell_count[neighbor_cell];

‎src/force/nep_charge.cu‎

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -446,15 +446,15 @@ static __global__ void find_neighbor_list_large_box(
446446
int neighbor_cell = cell_id + zz * nx * ny + yy * nx + xx;
447447
if (cell_id_x + xx < 0)
448448
neighbor_cell += nx;
449-
if (cell_id_x + xx >= nx)
449+
else if (cell_id_x + xx >= nx)
450450
neighbor_cell -= nx;
451451
if (cell_id_y + yy < 0)
452452
neighbor_cell += ny * nx;
453-
if (cell_id_y + yy >= ny)
453+
else if (cell_id_y + yy >= ny)
454454
neighbor_cell -= ny * nx;
455455
if (cell_id_z + zz < 0)
456456
neighbor_cell += nz * ny * nx;
457-
if (cell_id_z + zz >= nz)
457+
else if (cell_id_z + zz >= nz)
458458
neighbor_cell -= nz * ny * nx;
459459

460460
const int num_atoms_neighbor_cell = g_cell_count[neighbor_cell];

‎src/force/nep_multigpu.cu‎

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -733,15 +733,15 @@ static __global__ void find_neighbor_list_large_box(
733733
int zzz = zz;
734734
if (cell_id_x + xx < 0)
735735
xxx += nx;
736-
if (cell_id_x + xx >= nx)
736+
else if (cell_id_x + xx >= nx)
737737
xxx -= nx;
738738
if (cell_id_y + yy < 0)
739739
yyy += ny;
740-
if (cell_id_y + yy >= ny)
740+
else if (cell_id_y + yy >= ny)
741741
yyy -= ny;
742742
if (cell_id_z + zz < 0)
743743
zzz += nz;
744-
if (cell_id_z + zz >= nz)
744+
else if (cell_id_z + zz >= nz)
745745
zzz -= nz;
746746

747747
int neighbor_cell = cell_id;

‎tests/gpumd/silicon_liquid/rdf1.out‎

Lines changed: 101 additions & 101 deletions
Original file line numberDiff line numberDiff line change
@@ -1,101 +1,101 @@
1-
#radius total
2-
0.02500 0.00000
3-
0.07500 0.00000
4-
0.12500 0.00000
5-
0.17500 0.00000
6-
0.22500 0.00000
7-
0.27500 0.00000
8-
0.32500 0.00000
9-
0.37500 0.00000
10-
0.42500 0.00000
11-
0.47500 0.00000
12-
0.52500 0.00000
13-
0.57500 0.00000
14-
0.62500 0.00000
15-
0.67500 0.00000
16-
0.72500 0.00000
17-
0.77500 0.00000
18-
0.82500 0.00000
19-
0.87500 0.00000
20-
0.92500 0.00000
21-
0.97500 0.00000
22-
1.02500 0.00000
23-
1.07500 0.00000
24-
1.12500 0.00000
25-
1.17500 0.00000
26-
1.22500 0.00000
27-
1.27500 0.00000
28-
1.32500 0.00000
29-
1.37500 0.00000
30-
1.42500 0.00000
31-
1.47500 0.00000
32-
1.52500 0.00000
33-
1.57500 0.00000
34-
1.62500 0.00000
35-
1.67500 0.00000
36-
1.72500 0.00000
37-
1.77500 0.00000
38-
1.82500 0.00000
39-
1.87500 0.00000
40-
1.92500 0.00351
41-
1.97500 0.01644
42-
2.02500 0.05841
43-
2.07500 0.16670
44-
2.12500 0.35656
45-
2.17500 0.66698
46-
2.22500 1.04885
47-
2.27500 1.43342
48-
2.32500 1.74779
49-
2.37500 1.92127
50-
2.42500 1.99336
51-
2.47500 1.97354
52-
2.52500 1.89285
53-
2.57500 1.74805
54-
2.62500 1.59996
55-
2.67500 1.44573
56-
2.72500 1.33007
57-
2.77500 1.22637
58-
2.82500 1.12993
59-
2.87500 1.03704
60-
2.92500 0.97389
61-
2.97500 0.94538
62-
3.02500 0.90099
63-
3.07500 0.88893
64-
3.12500 0.84957
65-
3.17500 0.86176
66-
3.22500 0.87303
67-
3.27500 0.87754
68-
3.32500 0.89446
69-
3.37500 0.90700
70-
3.42500 0.91421
71-
3.47500 0.92911
72-
3.52500 0.95633
73-
3.57500 0.99024
74-
3.62500 0.98888
75-
3.67500 1.00761
76-
3.72500 1.01965
77-
3.77500 1.02490
78-
3.82500 1.03990
79-
3.87500 1.03822
80-
3.92500 1.05363
81-
3.97500 1.04820
82-
4.02500 1.05851
83-
4.07500 1.04487
84-
4.12500 1.03219
85-
4.17500 1.04898
86-
4.22500 1.03899
87-
4.27500 1.02030
88-
4.32500 1.02328
89-
4.37500 1.00490
90-
4.42500 0.98626
91-
4.47500 0.99167
92-
4.52500 0.97554
93-
4.57500 0.97199
94-
4.62500 0.95887
95-
4.67500 0.95511
96-
4.72500 0.94235
97-
4.77500 0.95897
98-
4.82500 0.94499
99-
4.87500 0.94449
100-
4.92500 0.94058
101-
4.97500 0.94466
1+
#radius total type_0_0
2+
0.02500 0.00000 0.00000
3+
0.07500 0.00000 0.00000
4+
0.12500 0.00000 0.00000
5+
0.17500 0.00000 0.00000
6+
0.22500 0.00000 0.00000
7+
0.27500 0.00000 0.00000
8+
0.32500 0.00000 0.00000
9+
0.37500 0.00000 0.00000
10+
0.42500 0.00000 0.00000
11+
0.47500 0.00000 0.00000
12+
0.52500 0.00000 0.00000
13+
0.57500 0.00000 0.00000
14+
0.62500 0.00000 0.00000
15+
0.67500 0.00000 0.00000
16+
0.72500 0.00000 0.00000
17+
0.77500 0.00000 0.00000
18+
0.82500 0.00000 0.00000
19+
0.87500 0.00000 0.00000
20+
0.92500 0.00000 0.00000
21+
0.97500 0.00000 0.00000
22+
1.02500 0.00000 0.00000
23+
1.07500 0.00000 0.00000
24+
1.12500 0.00000 0.00000
25+
1.17500 0.00000 0.00000
26+
1.22500 0.00000 0.00000
27+
1.27500 0.00000 0.00000
28+
1.32500 0.00000 0.00000
29+
1.37500 0.00000 0.00000
30+
1.42500 0.00000 0.00000
31+
1.47500 0.00000 0.00000
32+
1.52500 0.00000 0.00000
33+
1.57500 0.00000 0.00000
34+
1.62500 0.00000 0.00000
35+
1.67500 0.00000 0.00000
36+
1.72500 0.00000 0.00000
37+
1.77500 0.00000 0.00000
38+
1.82500 0.00000 0.00000
39+
1.87500 0.00000 0.00000
40+
1.92500 0.00351 0.00351
41+
1.97500 0.01644 0.01644
42+
2.02500 0.05841 0.05841
43+
2.07500 0.16670 0.16670
44+
2.12500 0.35656 0.35656
45+
2.17500 0.66698 0.66698
46+
2.22500 1.04885 1.04885
47+
2.27500 1.43342 1.43342
48+
2.32500 1.74779 1.74779
49+
2.37500 1.92127 1.92127
50+
2.42500 1.99336 1.99336
51+
2.47500 1.97354 1.97354
52+
2.52500 1.89285 1.89285
53+
2.57500 1.74805 1.74805
54+
2.62500 1.59996 1.59996
55+
2.67500 1.44573 1.44573
56+
2.72500 1.33007 1.33007
57+
2.77500 1.22637 1.22637
58+
2.82500 1.12993 1.12993
59+
2.87500 1.03704 1.03704
60+
2.92500 0.97389 0.97389
61+
2.97500 0.94538 0.94538
62+
3.02500 0.90099 0.90099
63+
3.07500 0.88893 0.88893
64+
3.12500 0.84957 0.84957
65+
3.17500 0.86176 0.86176
66+
3.22500 0.87303 0.87303
67+
3.27500 0.87754 0.87754
68+
3.32500 0.89446 0.89446
69+
3.37500 0.90700 0.90700
70+
3.42500 0.91421 0.91421
71+
3.47500 0.92911 0.92911
72+
3.52500 0.95633 0.95633
73+
3.57500 0.99024 0.99024
74+
3.62500 0.98888 0.98888
75+
3.67500 1.00761 1.00761
76+
3.72500 1.01965 1.01965
77+
3.77500 1.02490 1.02490
78+
3.82500 1.03990 1.03990
79+
3.87500 1.03822 1.03822
80+
3.92500 1.05363 1.05363
81+
3.97500 1.04820 1.04820
82+
4.02500 1.05851 1.05851
83+
4.07500 1.04487 1.04487
84+
4.12500 1.03219 1.03219
85+
4.17500 1.04898 1.04898
86+
4.22500 1.03899 1.03899
87+
4.27500 1.02030 1.02030
88+
4.32500 1.02328 1.02328
89+
4.37500 1.00490 1.00490
90+
4.42500 0.98626 0.98626
91+
4.47500 0.99167 0.99167
92+
4.52500 0.97554 0.97554
93+
4.57500 0.97199 0.97199
94+
4.62500 0.95887 0.95887
95+
4.67500 0.95511 0.95511
96+
4.72500 0.94235 0.94235
97+
4.77500 0.95897 0.95897
98+
4.82500 0.94499 0.94499
99+
4.87500 0.94449 0.94449
100+
4.92500 0.94058 0.94058
101+
4.97500 0.94466 0.94466

0 commit comments

Comments
 (0)