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Searched refs:psi_error (Results 1 – 11 of 11) sorted by relevance

/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/psi/
H A Dcpsi_KS.F987 real*8 error_out,psi_error
1039 psi_error = 10.0d0
1055 > (psi_error.lt.maxpsi_error)))
1150 > t,psi_error)
1157 real*8 psi_error
1176 > t,psi_error)
2013 real*8 error_out,psi_error
2057 psi_error = 10.0d0
2078 > (psi_error.lt.maxpsi_error)))
2202 real*8 psi_error
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/psi/
H A Dcpsi_KS.F1251 real*8 error_out,psi_error
1303 psi_error = 10.0d0
1319 > (psi_error.lt.maxpsi_error)))
1414 > t,psi_error)
1421 real*8 psi_error
1440 > t,psi_error)
2277 real*8 error_out,psi_error
2321 psi_error = 10.0d0
2342 > (psi_error.lt.maxpsi_error)))
2466 real*8 psi_error
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/dports/databases/xtrabackup8/percona-xtrabackup-8.0.14/include/mysql/psi/
H A Dpsi_abi_error_v1.h.pp1 #include "mysql/psi/psi_error.h"
/dports/databases/mysql-connector-odbc/mysql-connector-odbc-5.3.13-src/include/mysql-8.0/mysql/psi/
H A Dpsi_abi_error_v1.h.pp1 #include "mysql/psi/psi_error.h"
/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/method/
H A DMaximize_method.cpp125 doublevar psi_error=0; in run() local
138 psi_error += 0.5*tempgrad(j)*inverse_hessian(j,k)*tempgrad(k); in run()
147 maximize_config(i).error = psi_error; in run()
360 doublevar psi_error = 0; in newton_iteration() local
369 …psi_error += 0.5*grad(i)*inverse_hessian(i-1,j-1)*grad(j); // Estimate psi error: dpsi = g.T * x /… in newton_iteration()
375 cout << ", psi error = " << psi_error << ", x error = " << sqrt(delta_x_squared) << endl; in newton_iteration()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/
H A Dbybminimize.F64 real*8 rho_error,psi_1energy,psi_error
78 external rho_error,psi_1energy,psi_error
H A Dbybminimize2.F67 real*8 rho_error,psi_1energy,psi_error
82 external rho_error,psi_1energy,psi_error
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/
H A Dbybminimize.F67 real*8 rho_error,psi_1energy,psi_error local
81 external rho_error,psi_1energy,psi_error
H A Dbybminimize2.F87 real*8 rho_error,psi_1energy,psi_error local
102 external rho_error,psi_1energy,psi_error
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psi/
H A Dpsi.F5902 real*8 function psi_error()
5940 psi_error = error
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/psi/
H A Dpsi.F8649 real*8 function psi_error()
8687 psi_error = error