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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;
}
int etics::scf::scfclass::GetNMAX() {return NMAX;}
int etics::scf::scfclass::GetLMAX() {return LMAX;}
void etics::scf::scfclass::CalculateCoefficients(int n, int l) {
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);