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Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev
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commit
2ef1e128e1
@ -13,7 +13,7 @@ subroutine run_stochastic_cipsi
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double precision :: rss
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double precision, external :: memory_of_double
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PROVIDE H_apply_buffer_allocated
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PROVIDE H_apply_buffer_allocated distributed_davidson mo_two_e_integrals_in_map
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N_iter = 1
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threshold_generators = 1.d0
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@ -62,7 +62,8 @@ void getIthBF(Node *inode, int isomo, bool foundBF, int NSOMOMax, int getaddr, i
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if(isomo == NSOMOMax){
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if(inode->addr == getaddr){
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for(int i = NSOMOMax-1; i > -1; i--){
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int i;
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for(i = NSOMOMax-1; i > -1; i--){
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vecBF[i] = inode->cpl;
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inode = inode->PREV;
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}
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@ -150,7 +151,8 @@ void getIthDet(Node *inode, int isomo, bool foundBF, int NSOMOMax, int getaddr,
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if(isomo == NSOMOMax){
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if(inode->addr == getaddr){
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for(int i = NSOMOMax-1; i > -1; i--){
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int i;
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for(i = NSOMOMax-1; i > -1; i--){
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vecBF[i] = inode->cpl;
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inode = inode->PREV;
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}
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@ -224,7 +226,8 @@ void getDetlist(Node *inode, int isomo, int NSOMOMax, int *vecBF, int *detlist){
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if(isomo == NSOMOMax){
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int idet=0;
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for(int k=0;k<NSOMOMax;k++){
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int k;
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for(k=0;k<NSOMOMax;k++){
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if(vecBF[k] == 1) idet = idet | (1<<(NSOMOMax-1-k));
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}
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detlist[inode->addr]=idet;
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