ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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module_surchem Directory Reference
Directory dependency graph for module_surchem:

Directories

 test
 

Files

 cal_epsilon.cpp
 
 cal_pseudo.cpp
 
 cal_totn.cpp
 
 cal_vcav.cpp
 
 cal_vel.cpp
 
 H_correction_pw.cpp
 
 minimize_cg.cpp
 
 sol_force.cpp
 
 surchem.cpp
 
 surchem.h