Searched refs:ndone_iter (Results 1 – 8 of 8) sorted by relevance
/dports/science/madness/madness-ebb3fd7/src/madness/tensor/ |
H A D | fred.cc | 80 long ndone_iter=0; // No. of rotations done this iteration in main() local 132 ++ndone_iter; in main() 137 print(ndone_iter); in main() 138 ndone += ndone_iter; in main() 139 if (ndone_iter == 0 && tol==thresh) { in main()
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/dports/science/madness/madness-ebb3fd7/src/apps/polar/ |
H A D | distpm.cc | 151 AtomicInt ndone_iter; member in SystolicPMOrbitalLocalize 191 ndone_iter++; in localize_PM_ij() 243 ndone_iter = 0; in start_iteration_hook() 250 int ndone = ndone_iter; in end_iteration_hook() 252 ndone_iter = ndone; in end_iteration_hook() 259 return (ndone_iter == 0 && tol == thresh); in converged()
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H A D | moldft.cc | 1271 long& ndone_iter, double& maxtheta, in localize_PM_ij() 1311 ++ndone_iter; in localize_PM_ij() 1361 long ndone_iter = 0; in localize_PM_task_kernel() local 1371 ndone_iter, maxtheta, in localize_PM_task_kernel() 1379 ndone += ndone_iter; in localize_PM_task_kernel() 1380 if(ndone_iter == 0 && tol == thresh){ in localize_PM_task_kernel() 1523 long ndone_iter = 0; in localize_boys() local 1565 ++ndone_iter; in localize_boys() 1579 ndone += ndone_iter; in localize_boys() 1580 if(ndone_iter == 0 && tol == thresh){ in localize_boys()
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H A D | desktop | 1202 long& ndone_iter, double& maxtheta, 1242 ++ndone_iter; 1292 long ndone_iter = 0; 1302 ndone_iter, maxtheta, 1310 ndone += ndone_iter; 1311 if(ndone_iter == 0 && tol == thresh){ 1454 long ndone_iter = 0; 1496 ++ndone_iter; 1510 ndone += ndone_iter; 1511 if(ndone_iter == 0 && tol == thresh){
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/dports/science/madness/madness-ebb3fd7/src/apps/chem/ |
H A D | distpm.cc | 151 AtomicInt ndone_iter; member in madness::SystolicPMOrbitalLocalize 210 ndone_iter++; in localize_PM_ij() 262 ndone_iter = 0; in start_iteration_hook() 269 int ndone = ndone_iter; in end_iteration_hook() 271 ndone_iter = ndone; in end_iteration_hook() 278 return (ndone_iter == 0 && tol == thresh); in converged()
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H A D | SCF.cc | 570 long ndone_iter = 0; in localize_boys() local 617 ++ndone_iter; in localize_boys() 631 ndone += ndone_iter; in localize_boys() 632 if (ndone_iter == 0 && tol == thresh) { in localize_boys()
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/dports/science/madness/madness-ebb3fd7/src/apps/ii/ |
H A D | systolic.h | 671 …long nmo, niter, ndone, ndone_iter; // number of molecule, number of iteration, number of rotation… variable 766 this->ndone_iter = nrot; in end_iteration_hook() 769 world.gop.sum(ndone_iter); // get total number of rotation whole processes in end_iteration_hook() 770 this->ndone += ndone_iter; in end_iteration_hook() 777 if( ndone_iter == 0 && tol <= thresh){ in converged()
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/dports/science/madness/madness-ebb3fd7/src/apps/moldft/ |
H A D | preal.cc | 195 long ndone_iter = 0; in operator ()() local 237 ++ndone_iter; in operator ()() 251 ndone += ndone_iter; in operator ()() 252 if(ndone_iter == 0 && tol == thresh){ in operator ()()
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