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implemented GetNMAX and GetLMAX in etics::scf::scfclass

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This commit is contained in:
Yohai Meiron 2020-03-07 20:23:18 -05:00
parent 85076f9030
commit b12ed61300
2 changed files with 4 additions and 1 deletions
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4
src/scf.cu
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@ -93,6 +93,10 @@ void etics::scf::scfclass::ReleaseGpuLock() {
else GPU_LOCK_PANIC; else GPU_LOCK_PANIC;
} }
int etics::scf::scfclass::GetNMAX() {return NMAX;}
int etics::scf::scfclass::GetLMAX() {return LMAX;}
void etics::scf::scfclass::CalculateCoefficients(int n, int l) { void etics::scf::scfclass::CalculateCoefficients(int n, int l) {
int BaseAddress = n*(LMAX+1)*(LMAX+2)/2 + l*(l+1)/2; int BaseAddress = n*(LMAX+1)*(LMAX+2)/2 + l*(l+1)/2;
etics::scf::CalculateCoefficientsPartial<<<k3gs,k3bs,k3bs*sizeof(Complex)*(LMAX+1)>>>(N, n, l, PartialSum); etics::scf::CalculateCoefficientsPartial<<<k3gs,k3bs,k3bs*sizeof(Complex)*(LMAX+1)>>>(N, n, l, PartialSum);

1
src/scf.hpp
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@ -43,7 +43,6 @@ namespace etics {
void GetCoefficients(Complex *A); void GetCoefficients(Complex *A);
void GetGpuLock(); void GetGpuLock();
void ReleaseGpuLock(); void ReleaseGpuLock();
//WARNING: the following two functions are not implemented but they should be
int GetNMAX(); int GetNMAX();
int GetLMAX(); int GetLMAX();
//TODO We'll make them private in the final version, now we need access for debugging //TODO We'll make them private in the final version, now we need access for debugging