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89 files changed
+646
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lines changed- docs
- examples/performance
- P000_si16_pw
- P001_si32_pw
- P002_si64_pw
- P003_si128_pw
- P004_cu4_pw
- P005_Bi2Se2Cu2O2_pw
- P006_Ge4As8_pw
- P007_H2O_pw
- P008_C2H6O_pw
- P009_32H2O_pw
- P010_si2_pw
- P100_si16_lcao
- P101_si32_lcao
- P102_si64_lcao
- P103_si128_lcao
- P104_si256_lcao
- P105_si512_lcao
- P106_Cu4_lcao
- P107_Bi2Se2Cu2O2_lcao
- P108_Ge4As8_lcao
- P109_H2O_lcao
- P110_C2H6O_lcao
- P111_si32_lcaogo
- source
- module_cell
- module_deepks/test
- module_esolver
- module_relaxation
- src_ions
- src_lcao
- src_pw
- tests/integrate
- 170_PW_MD_2O
- 270_NO_MD_2O
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89 files changed
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-510
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