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150 files changed
+33
-260
lines changed- tests/01_PW
- 005_PW_UPF201_UPF100
- 010_PW_0TYPE
- 011_PW_0ATOM
- 012_PW_DJ
- 013_PW_ONCV_LDA
- 020_PW_kspace
- 021_PW_kspace3
- 026_PW_KPAR
- 035_PW_15_SO
- 054_PW_OP_nscf
- 072_PW_ELF
- 074_PW_SY_LiRH
- 075_PW_CHG_BINARY
- 085_PW_get_pchg
- 086_PW_get_wf
- 087_PW_OP
- 087_PW_get_pchg_kpar
- 088_PW_OP_nscf
- 088_PW_get_pchg_sepk
- 089_PW_get_wf_kpar
- 090_PW_VWR
- 091_PW_CR_VDW3
- 096_PW_PBE0
- 097_PW_LDOS
- 098_PW_15_SO_avg
- 099_PW_DJ_SO
- 100_PW_W90
- 101_PW_MD_1O
- 102_PW_MD_2O
- 115_PW_get_wf_kpar
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