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base repository: deepmodeling/abacus-develop
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base: 36e494dba5d28335ca6a26977178460ab83b385e
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head repository: deepmodeling/abacus-develop
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compare: 280fef6e585f0881c3823b7a136d5ec4cc0e14ce
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Showing with 0 additions and 3 deletions.
  1. +0 −3 source/module_relax/relax_old/bfgs.h
3 changes: 0 additions & 3 deletions source/module_relax/relax_old/bfgs.h
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Original file line number Diff line number Diff line change
@@ -34,9 +34,6 @@ class BFGS
double maxstep;//every movement smaller than maxstep
int size;//number of atoms




void IsRestrain(std::vector<std::vector<double>>& dpos);//check if converged
void CalculateLargestGrad(const ModuleBase::matrix& _force,UnitCell& ucell);
void GetPos(UnitCell& ucell,std::vector<std::vector<double>>& pos);