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328 files changed
+358283
-1200348
lines changed- test
- 0_aguaCPU
- 0_aguaGPU
- 10_fullerenoCPU
- 10_fullerenoGPU
- 11_fosfato_QMMM
- 12_ECP
- Cl2
- Hemo
- 13_geom_optim
- 14_QM_in_Pcharges
- 15_TDDFT_HCl
- 16_TDDFT_FIELD
- 17_TRAD_Dens
- 1_Oxy-molGPU
- 2_hemoCPU
- 2_hemoGPU
- 2_hemo_TDDFT_GPU
- 3_Fe3H2O6GPU
- 4_hemoFe3GPU
- 5_caffeineCPU
- 5_caffeineGPU
- 9_carotenoCPU
- 9_carotenoGPU
- testLIBXC
- integration_test
- accumulate_point
- iteration
- unit_test
- accumulate_point
- commons
- libxc_proxy
- matrix
- timers
- testLIO
- 00_agua
- 01_OxyMol
- 02_Fe3H2O6
- 03_fosfatoQMMM
- 04_ECP
- 05_TDDFTField
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