File tree Expand file tree Collapse file tree 2 files changed +0
-370
lines changed Expand file tree Collapse file tree 2 files changed +0
-370
lines changed Original file line number Diff line number Diff line change 1- <<<<<<< HEAD
2- 101_PW_15
3- 101_PW_15_f
4- 101_PW_15_LDA
5- 101_PW_15_LibxcLDA
6- 101_PW_15_lowz
7- 101_PW_BLPS
8- 101_PW_Coulomb
9- 101_PW_GTH_CF_CS_Si
10- 101_PW_LPS6
11- 101_PW_LPS8
12- 101_PW_UPF100_Al
13- 101_PW_UPF100_RAPPE_Fe
14- 101_PW_UPF100_USPP_Fe
15- 101_PW_UPF201
16- 101_PW_UPF201_Al
17- 101_PW_UPF201_BLPS
18- 101_PW_UPF201_Eu
19- 101_PW_UPF201_UPF100
20- 101_PW_UPF201_USPP_Fe
21- 101_PW_UPF201_USPP_NaCl
22- 101_PW_UPF201_USPP_NCPP
23- 101_PW_VWR
24- 102_PW_DA_davidson
25- 102_PW_BPCG
26- 102_PW_BPCG_BP
27- 102_PW_CG
28- 102_PW_CG_float
29- 102_PW_DA_davidson
30- 102_PW_DS_davsubspace
31- 102_PW_DS_davsubspace_sca
32- 102_PW_PINT_RKS
33- 102_PW_PINT_UKS
34- 103_PW_15_CF_CS_S1_smallg
35- 103_PW_15_CF_CS_S2_smallg
36- 103_PW_15_CS_CF
37- 103_PW_15_CS_CF_bspline
38- 103_PW_CF_CS_S1_smallg
39- 103_PW_CF_CS_S2_smallg
40- 103_PW_OU_CS_CF
41- 104_PW_AF_magnetic
42- 104_PW_FM_magnetic
43- 104_PW_NC
44- 105_PW_FD_smearing
45- 105_PW_FX_smearing
46- 105_PW_GA_smearing
47- 105_PW_M2_smearing
48- 105_PW_MP_smearing
49- 105_PW_MV_smearing
50- 106_PW_BD_chargemixing
51- 106_PW_KK_chargemixing
52- 106_PW_PK_chargemixing
53- 106_PW_PL_chargemixing
54- 106_PW_PU_chargemixing
55- 107_PW_CHG_mismatch
56- 107_PW_OBOD_MemSaver
57- 107_PW_OB_outputbands
58- 107_PW_OD_outputdos
59- 107_PW_OK
60- 107_PW_outWfcPw
61- 107_PW_outWfcR
62- 107_PW_W90
63- 108_PW_RE
64- 108_PW_RE_MB
65- 108_PW_RE_MG
66- 108_PW_RE_NEW
67- 108_PW_RE_PINT_RKS
68- 109_PW_CR
69- 109_PW_CR_fix_a
70- 109_PW_CR_fix_ab
71- 109_PW_CR_fix_abc
72- 109_PW_CR_fix_ac
73- 109_PW_CR_fix_b
74- 109_PW_CR_fix_bc
75- 109_PW_CR_fix_c
76- 109_PW_CR_moveatoms
77- 110_PW_SY
78- 110_PW_SY_symmetry
79- 110_PW_SY_symmetry_6K
80- 110_PW_SY_symmetry_LiRh
81- 111_PW_elec_add
82- 111_PW_elec_minus
83- 111_PW_S2_elec_add
84- 111_PW_S2_elec_minus
85- 112_PW_dipole
86- 112_PW_efield
87- 113_PW_gatefield
88- 114_PW_BD_15
89- 115_PW_sol_H2
90- 115_PW_sol_H2O
91- 116_PW_scan_Si2
92- 116_PW_scan_Si2_nspin2
93- 117_PW_out_pot
94- 117_PW_out_pot_nscf
95- 118_PW_CHG_BINARY
96- 118_PW_WFC_BINARY
97- 119_PW_out_elf
98- 120_PW_KP_MD_MSST
99- #120_PW_KP_MD_MSST_level2
100- 120_PW_KP_MD_NPT
101- 120_PW_KP_MD_NVT
102- 121_PW_KPAR
103- 121_PW_kspacing
104- 127_PW_15_PK_AF
105- 127_PW_15_PK_AF_wfcinit
106- 123_PW_zero_atom
107- 128_PW_zero_ntype
108- 133_PW_DJ_PK
109- 135_PW_15_PK
110- 140_PW_15_SO
111- 140_PW_15_SO_average
112- 140_PW_15_SO_wfcinit
113- 150_PW_15_CR_VDW3
114- 160_PW_DJ_PK_PU_SO
115- 170_PW_MD_1O
116- 170_PW_MD_2O
117- 180_PW_SDFT_10S_M
118- 180_PW_SDFT_10S_P
119- 181_PW_SDFT_5D10S
120- 182_PW_SDFT_ALL
121- 183_PW_MD_SDFT_10S
122- 183_PW_MD_SDFT_5D10S
123- 183_PW_MD_SDFT_ALL
124- 184_PW_BNDKPAR_SDFT_ALL
125- 184_PW_BNDKPAR_SDFT_MALL
126- 184_PW_BNDPAR_SDFT_10S
127- 184_PW_BNDPAR_SDFT_5D10S
128- 184_PW_BPCG_SDFT_5D11S
129- 184_PW_KPAR_SDFT_ALL
130- 185_PW_SDFT_10D10S_METHD2
131- 185_PW_SDFT_10S_METHD2
132- 186_PW_KG_100
133- 186_PW_NLKG_100
134- 186_PW_NSCF_KG_100
135- 186_PW_SDOS_10D10S
136- 186_PW_SDOS_MALL
137- 186_PW_SKG_10D10S
138- 186_PW_SKG_ALL
139- 186_PW_SNLKG_10D10S
140- 190_PW_PBE0
141- 201_NO_15_f_pseudopots
142- 201_NO_15_pseudopots
143- 201_NO_15_pseudopots_kpar
144- 201_NO_KP_15_CF_CS_Si
145- 201_NO_KP_DJ_CF_CS_GaAs
146- 201_NO_KP_DJ_Si
147- 201_NO_OU_pseudopots
148- 201_NO_upf201_pseudopots
149- 201_NO_GTH_CF_CS_Si
150- #202_NO_KP_HP_hpseps
151- 203_NO_bspline
152- 203_NO_CF_CS_S1_smallg
153- 203_NO_CF_CS_S2_smallg
154- 204_NO_KP_AFM
155- 204_NO_KP_FM
156- 204_NO_KP_NC
157- 204_NO_NC
158- 207_NO_KP_OB
159- 207_NO_KP_OD
160- 207_NO_KP_OH_nscf
161- 207_NO_KP_OH
162- 207_NO_KP_OH2
163- 207_NO_KP_OHS_SPIN4
164- 207_NO_KP_OTdH
165- 207_NO_KP_OXC
166- 207_NO_OK
167- 207_NO_KP_OS
168- 208_NO_KP_CF_RE
169- 208_NO_KP_CS_CR
170- 208_NO_KP_RE_MB
171- 211_NO_elec_add
172- 211_NO_elec_minus
173- 211_NO_S2_elec_add
174- 211_NO_S2_nupdown0
175- 211_NO_S2_elec_minus
176- 212_NO_KP_get_wf
177- 212_NO_wfc_out
178- 213_NO_mulliken
179- 214_NO_mulliken_nscf
180- 215_NO_sol_H2
181- 216_NO_scan_Si2
182- 217_NO_out_pot
183- 217_NO_out_pot_nscf
184- 219_NO_out_elf
185- 220_NO_KP_MD_MSST
186- #220_NO_KP_MD_MSST_level2
187- 220_NO_KP_MD_NVT
188- 220_NO_KP_MD_wfc_out
189- 223_NO_zero_atom
190- #230_NO_KP_MD_TD
191- 240_NO_KP_15_SO
192- 240_NO_KP_15_SO_average
193- 250_NO_KP_CR_VDW2
194- 250_NO_KP_CR_VDW3
195- 250_NO_KP_CR_VDW3ABC
196- 250_NO_KP_CR_VDW3BJ
197- 260_NO_DJ_PK_PU_FM
198- 260_NO_DJ_PK_PU_SO
199- 260_NO_DJ_PK_PU_S1
200- 260_NO_DJ_PK_PU_AFM_URAMPING
201- 270_NO_MD_1O
202- 270_NO_MD_2O
203- 281_NO_KP_HSE
204- 281_NO_KP_HSE_symmetry
205- 282_NO_KP_HSE_complex
206- 283_NO_KP_HF
207- 284_NO_KP_PBE0
208- 285_NO_KP_RE_HSE
209- 286_NO_KP_CR_HSE
210- #282_NO_RPA
211- 283_NO_restart
212- 284_NO_KP_symmetry
213- 291_NO_KP_LR
214- 301_NO_GO_15_CF_CS
215- 301_NO_GO_DJ_Si
216- #303_NO_GO_HP_15
217- 304_NO_GO_AF
218- 304_NO_GO_AF_atommag
219- 304_NO_GO_FM
220- 304_NO_GO_ocp
221- 307_NO_GO_OH
222- 307_NO_GO_OXC
223- 308_NO_GO_CF_RE
224- 308_NO_GO_CS_CR
225- 308_NO_GO_RE_MB
226- 311_NO_GO_elec_minus
227- 311_NO_GO_S2_elec_minus
228- 312_NO_GO_wfc_file
229- 312_NO_GO_get_wf
230- 312_NO_GO_wfc_get_pchg
231- 312_NO_GO_wfc_out
232- 313_NO_GO_mulliken
233- 314_NO_GO_dm_out
234- 315_NO_sol_H2O
235- 316_NO_scan_Si2
236- 320_NO_GO_MD_MSST
237- #320_NO_GO_MD_MSST_level2
238- 320_NO_GO_MD_NVT
239- 345_NO_GO_BS
240- 360_NO_15_GO_PU_AF
241- 381_NO_GO_S1_HSE
242- 382_NO_GO_S2_HSE
243- 383_NO_GO_SO_HSE
244- 384_NO_GO_S1_HSE_loop0_PU
245- 385_NO_GO_RE_S1_HSE
246- 386_NO_GO_MD_S1_HSE
247- 391_NO_GO_LR
248- 391_NO_GO_LR_PBE
249- 392_NO_GO_LR_HF
250- 393_NO_GO_ULR_HF
251- 401_NP_KP_sp
252- 401_NP_KP_spd
253- #501_NO_neighboring_GaAs512
254- 601_NO_KP_TDDFT
255- 601_NO_TDDFT
256- 601_NO_TDDFT_CH
257- 601_NO_TDDFT_CO
258- 601_NO_TDDFT_CO_occ
259- 601_NO_TDDFT_current
260- 601_NO_TDDFT_DIR
261- 601_NO_TDDFT_EDM
262- 601_NO_TDDFT_ETRS
263- 601_NO_TDDFT_HEAV
264- 601_NO_TDDFT_HHG
265- 601_NO_TDDFT_O3
266- 601_NO_TDDFT_restart
267- 601_NO_TDDFT_Taylor
268- 601_NO_TDDFT_TRAP
269- 601_NO_TDDFT_TRI
270- 601_NO_TDDFT_vel_H2
271- 601_NO_TDDFT_vel_Si
272- 701_LJ_Anderson
273- 701_LJ_Berendsen
274- 701_LJ_FIRE
275- 701_LJ_Langevin
276- 701_LJ_MSST
277- 701_LJ_NHC_NVT
278- 701_LJ_NPT_aniso_none
279- 701_LJ_NPT_aniso_xy
280- 701_LJ_NPT_aniso_xz
281- 701_LJ_NPT_aniso_yz
282- 701_LJ_NPT_iso
283- 701_LJ_NPT_tri
284- 701_LJ_NVE
285- 701_LJ_rescale_v
286- 701_LJ_rescaling
287- #702_DP_Al
288- 703_LJ_RE_rule1
289- 704_LJ_CR_multi_ele
290- 705_LJ_single_rule2
291- 706_LJ_RE_stop
292- 707_LJ_dry_run
293- 710_RDMFT_Si2
294- 801_PW_LT_sc
295- 802_PW_LT_fcc
296- 803_PW_LT_bcc
297- 804_PW_LT_hexagonal
298- 805_PW_LT_trigonal
299- 806_PW_LT_st
300- 807_PW_LT_bct
301- 808_PW_LT_so
302- 809_PW_LT_baco
303- 810_PW_LT_fco
304- 811_PW_LT_bco
305- 812_PW_LT_sm
306- 813_PW_LT_bacm
307- 814_PW_LT_triclinic
308- 901_OF_OP_CG1
309- 901_OF_OP_CG2
310- 901_OF_OP_TN
311- 902_OF_KE_TF
312- 902_OF_KE_TF+
313- 902_OF_KE_vW
314- 902_OF_KE_WT
315- 902_OF_KE_LKT
316- 902_OF_KE_MPN
317- 902_OF_KE_CPN5
318- 903_OF_TF_weight
319- 903_OF_vW_weight
320- 903_OF_WT_alphabeta
321- 903_OF_WT_HOLD
322- 903_OF_WT_readKernel
323- 903_OF_WT_RHO0
324- 904_OF_CO_Energy
325- 904_OF_CO_Potential
326- 905_OF_FFT_fullpwdim_1
327- 905_OF_FFT_fullpwdim_2
328- 905_OF_FFT_fullpw_off
329- 906_OF_LibxcPBE
330- 907_OF_LPS
331- 919_OF_out_elf
332- 920_OF_MD_LDA
333- 920_OF_MD_LibxcPBE
334- 921_OF_CR_LDA
335- 922_NO_FeBiTe
336- =======
337- >>>>>>> develop
Original file line number Diff line number Diff line change 1- <<<<<<< HEAD
2- 102_PW_CG_GPU
3- 102_PW_CG_GPU_float
4- 102_PW_DA_davidson_GPU
5- 102_PW_BPCG_GPU
6- 107_PW_outWfcPw_GPU
7- 186_PW_KG_100_GPU
8- 186_PW_SKG_MALL_GPU
9- 187_PW_SDFT_ALL_GPU
10- 187_PW_SDFT_MALL_GPU
11- 187_PW_SDFT_MALL_BPCG_GPU
12- 187_PW_MD_SDFT_ALL_GPU
13- 930_NO_BI2SE2CU2O2_GPU
14- 930_NO_BI2SE2CU2O2_k_GPU
15- 931_NO_H20_GPU
16- 932_NO_H2_dzp_GPU
17- 932_NO_H2_dzp_ns2_GPU
18- 932_NO_H2_sz_GPU
19- 932_NO_H2_sz_ns2_GPU
20- 933_NO_H_dzp_GPU
21- 933_NO_H_dzp_ns2_GPU
22- 934_NO_Si2_dzp_GPU
23- 934_NO_Si2_dzp_neq_GPU
24- 934_NO_Si2_dzp_neq_ns2_GPU
25- 934_NO_Si2_dzp_neq_ns2_k_GPU
26- 934_NO_Si2_dzp_ns2_GPU
27- 934_NO_Si2_tzdp_GPU
28- 934_NO_Si2_tzdp_neq_GPU
29- 934_NO_Si2_tzdp_neq_ns2_GPU
30- 934_NO_Si2_tzdp_ns2_GPU
31- 935_NO_Si2_tzdp_ns2_k_GPU
32- =======
33- >>>>>>> develop
You can’t perform that action at this time.
0 commit comments