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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-07-13 14:34:30 +02:00
This commit is contained in:
Anthony Scemama 2021-06-16 12:21:27 +02:00
parent c2bb6e92f0
commit 5577334c17
2 changed files with 7 additions and 4 deletions

View File

@ -13,7 +13,7 @@ subroutine run_stochastic_cipsi
double precision :: rss
double precision, external :: memory_of_double
PROVIDE H_apply_buffer_allocated
PROVIDE H_apply_buffer_allocated distributed_davidson mo_two_e_integrals_in_map
N_iter = 1
threshold_generators = 1.d0

View File

@ -62,7 +62,8 @@ void getIthBF(Node *inode, int isomo, bool foundBF, int NSOMOMax, int getaddr, i
if(isomo == NSOMOMax){
if(inode->addr == getaddr){
for(int i = NSOMOMax-1; i > -1; i--){
int i;
for(i = NSOMOMax-1; i > -1; i--){
vecBF[i] = inode->cpl;
inode = inode->PREV;
}
@ -150,7 +151,8 @@ void getIthDet(Node *inode, int isomo, bool foundBF, int NSOMOMax, int getaddr,
if(isomo == NSOMOMax){
if(inode->addr == getaddr){
for(int i = NSOMOMax-1; i > -1; i--){
int i;
for(i = NSOMOMax-1; i > -1; i--){
vecBF[i] = inode->cpl;
inode = inode->PREV;
}
@ -224,7 +226,8 @@ void getDetlist(Node *inode, int isomo, int NSOMOMax, int *vecBF, int *detlist){
if(isomo == NSOMOMax){
int idet=0;
for(int k=0;k<NSOMOMax;k++){
int k;
for(k=0;k<NSOMOMax;k++){
if(vecBF[k] == 1) idet = idet | (1<<(NSOMOMax-1-k));
}
detlist[inode->addr]=idet;