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update 03_NAO_multik
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tests/03_NAO_multik/CASES_CPU.txt

Lines changed: 60 additions & 62 deletions
Original file line numberDiff line numberDiff line change
@@ -1,62 +1,60 @@
1-
201_NO_15_f_pseudopots
2-
201_NO_15_pseudopots
3-
201_NO_15_pseudopots_kpar
4-
201_NO_GTH_CF_CS_Si
5-
201_NO_KP_15_CF_CS_Si
6-
201_NO_KP_DJ_CF_CS_GaAs
7-
201_NO_KP_DJ_Si
8-
201_NO_OU_pseudopots
9-
201_NO_upf201_pseudopots
10-
203_NO_bspline
11-
203_NO_CF_CS_S1_smallg
12-
203_NO_CF_CS_S2_smallg
13-
204_NO_KP_AFM
14-
204_NO_KP_FM
15-
204_NO_KP_NC
16-
204_NO_NC
17-
207_NO_KP_OB
18-
207_NO_KP_OD
19-
207_NO_KP_OH
20-
207_NO_KP_OH2
21-
207_NO_KP_OH_nscf
22-
207_NO_KP_OHS_SPIN4
23-
207_NO_KP_OS
24-
207_NO_KP_OTdH
25-
207_NO_OK
26-
208_NO_KP_CF_RE
27-
208_NO_KP_CS_CR
28-
208_NO_KP_RE_MB
29-
211_NO_elec_add
30-
211_NO_elec_minus
31-
211_NO_S2_elec_add
32-
211_NO_S2_elec_minus
33-
211_NO_S2_nupdown0
34-
212_NO_KP_get_wf
35-
212_NO_wfc_out
36-
213_NO_mulliken
37-
214_NO_mulliken_nscf
38-
215_NO_sol_H2
39-
216_NO_scan_Si2
40-
217_NO_out_pot
41-
217_NO_out_pot_nscf
42-
219_NO_out_elf
43-
220_NO_KP_MD_MSST
44-
220_NO_KP_MD_MSST_level2
45-
220_NO_KP_MD_NVT
46-
220_NO_KP_MD_wfc_out
47-
221_NO_KP_QO
48-
223_NO_zero_atom
49-
240_NO_KP_15_SO
50-
240_NO_KP_15_SO_average
51-
250_NO_KP_CR_VDW2
52-
250_NO_KP_CR_VDW3
53-
250_NO_KP_CR_VDW3ABC
54-
250_NO_KP_CR_VDW3BJ
55-
260_NO_DJ_PK_PU_AFM_URAMPING
56-
260_NO_DJ_PK_PU_FM
57-
260_NO_DJ_PK_PU_S1
58-
260_NO_DJ_PK_PU_SO
59-
270_NO_MD_1O
60-
270_NO_MD_2O
61-
283_NO_restart
62-
284_NO_KP_symmetry
1+
01_NO_KP_15_f
2+
02_NO_KP_15
3+
03_NO_KP_15_kpar
4+
04_NO_KP_GTH
5+
05_NO_KP_DJ
6+
06_NO_KP_OU
7+
07_NO_KP_UPF201
8+
08_NO_KP_bspline
9+
09_NO_S1_smallg
10+
10_NO_S2_smallg
11+
11_NO_KP_AFM
12+
12_NO_KP_FM
13+
13_NO_KP_NC
14+
14_NO_KP_NC
15+
15_NO_KP_OB
16+
16_NO_KP_OD
17+
17_NO_KP_OH
18+
18_NO_KP_OH2
19+
19_NO_KP_OH_nscf
20+
20_NO_KP_OHS_S4
21+
21_NO_KP_OS
22+
22_NO_KP_OTdH
23+
23_NO_OK
24+
24_NO_KP_RE
25+
25_NO_KP_CR
26+
26_NO_KP_RE_MB
27+
27_NO_elec_add
28+
28_NO_elec_minus
29+
29_NO_S2_elec_add
30+
30_NO_S2_elec_minus
31+
31_NO_S2_nupdown0
32+
32_NO_KP_get_wf
33+
33_NO_wfc_out
34+
34_NO_MU
35+
35_NO_MU_nscf
36+
36_NO_sol_H2
37+
37_NO_scan_Si2
38+
38_NO_OP
39+
39_NO_OP_nscf
40+
40_NO_ELF
41+
41_NO_KP_MSST
42+
42_NO_KP_MSST2
43+
43_NO_KP_NVT
44+
44_NO_KP_MD_OW
45+
45_NO_KP_QO
46+
46_NO_0atom
47+
47_NO_KP_15_SO
48+
48_NO_KP_15_SO_avg
49+
49_NO_KP_CR_VDW3ABC
50+
50_NO_KP_CR_VDW3BJ
51+
51_NO_KP_CR_VDW2
52+
52_NO_KP_CR_VDW3
53+
53_NO_PK_URAMP
54+
54_NO_PK_PU
55+
55_NO_PK_PU_S1
56+
56_NO_PK_PU_SO
57+
57_NO_MD_1O
58+
58_NO_MD_2O
59+
59_NO_restart
60+
60_NO_KP_symm

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