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610 files changed
+108
-326
lines changed- tests/01_PW
- 001_PW_15
- 002_PW_15_f
- 003_PW_15_LDA
- 004_PW_15_LibxcLDA
- 005_PW_15_lowz
- 006_PW_BLPS
- 007_PW_Coulomb
- 008_PW_GTH
- 009_PW_LPS6
- 010_PW_LPS8
- 011_PW_UPF100_Al
- 012_PW_UPF100_RAPPE_Fe
- 013_PW_UPF100_USPP_Fe
- 014_PW_UPF201
- 015_PW_UPF201_Al
- 016_PW_UPF201_BLPS
- 017_PW_UPF201_Eu
- 018_PW_UPF201_UPF100
- 019_PW_UPF201_USPP_Fe
- 020_PW_UPF201_USPP_NaCl
- 021_PW_UPF201_USPP_NCPP
- 022_PW_DOJO
- 023_PW_DA
- 024_PW_DS
- 025_PW_DS_sca
- 026_PW_CG
- 027_PW_PINT_RKS
- 028_PW_PINT_UKS
- 029_PW_15_CF_CS_S1_smallg
- 030_PW_15_CF_CS_S2_smallg
- 031_PW_15_CF_CS
- 032_PW_15_CF_CS_bspline
- 033_PW_CF_CS_S1_smallg
- 034_PW_CF_CS_S2_smallg
- 035_PW_OU_CF_CS
- 036_PW_AF
- 037_PW_FM
- 038_PW_NC
- 039_PW_FD_smear
- 040_PW_FX_smear
- 041_PW_GA_smear
- 042_PW_M2_smear
- 043_PW_MP_smear
- 044_PW_MV_smear
- 045_PW_BD_chgmix
- 046_PW_KK_chgmix
- 047_PW_PK_chgmix
- 048_PW_PL_chgmix
- 049_PW_PU_chgmix
- 050_PW_CHG_mismatch
- 051_PW_OBOD_MemSaver
- 052_PW_OB
- 053_PW_OD
- 054_PW_OK
- 055_PW_OW
- 056_PW_W90
- 057_PW_RE
- 058_PW_RE_MB
- 059_PW_RE_MB_NEW
- 060_PW_RE_MG
- 061_PW_RE_NEW
- 062_PW_RE_PINT_RKS
- 063_PW_CR
- 064_PW_CR_fix_a
- 065_PW_CR_fix_ab
- 066_PW_CR_fix_abc
- 067_PW_CR_fix_ac
- 068_PW_CR_fix_b
- 069_PW_CR_fix_bc
- 070_PW_CR_fix_c
- 071_PW_CR_moveatoms
- 072_PW_SY
- 073_PW_SY
- 074_PW_SY_6K
- 075_PW_SY_LiRh
- 076_PW_elec_add
- 077_PW_elec_minus
- 078_PW_S2_elec_add
- 079_PW_S2_elec_minus
- 080_PW_dipole
- 081_PW_efield
- 082_PW_gatefield
- 083_PW_sol_H2
- 084_PW_sol_H2O
- 085_PW_SCAN
- 086_PW_SCAN_S2
- 087_PW_OP
- 088_PW_OP_nscf
- 089_PW_CHG_BINARY
- 090_PW_WFC_BINARY
- 091_PW_ELF
- 092_PW_MSST
- 093_PW_MSST2
- 094_PW_NPT
- 095_PW_NVT
- 096_PW_KPAR
- 097_PW_kspace
- 098_PW_kspace3
- 099_PW_0ATOM
- 100_PW_0TYPE
- 102_PW_CR_VDW3
- 103_PW_15_SO
- 104_PW_15_SO_avg
- 105_PW_15_SO_wfcinit
- OUT.autotest
- 106_PW_DJ__SO
- 107_PW_MD_1O
- 108_PW_MD_2O
- 109_PW_PBE0
- 114_PW_BD_15
- 119_PW_out_elf
- 127_PW_15_PK_AF
- 135_PW_15_PK
- 140_PW_15_SO_wfcinit
- 170_PW_MD_2O
- 190_PW_PBE0
- BUG_PW_15_PK_AF_wfcinit
- OUT.autotest
- BUG_PW_BPCG_BP
- BUG_PW_BPCG
- BUG_PW_outWfcR
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