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Searched refs:mao_function (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmao_optimizer.F21 USE mao_methods, ONLY: mao_function,&
116 CALL mao_function(mao_coef(ispin)%matrix, fval, matrix_q(ispin)%matrix, &
171 … CALL mao_function(amat, fa1, matrix_q(ispin)%matrix, matrix_smm(1)%matrix, binv, .TRUE.)
175 … CALL mao_function(amat, fa2, matrix_q(ispin)%matrix, matrix_smm(1)%matrix, binv, .TRUE.)
H A Dmao_methods.F71 PUBLIC :: mao_initialization, mao_function, mao_function_gradient, mao_orthogonalization, &
203 SUBROUTINE mao_function(mao_coef, fval, qmat, smat, binv, reuse) subroutine
236 END SUBROUTINE mao_function
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmao_optimizer.F21 USE mao_methods, ONLY: mao_function,&
116 CALL mao_function(mao_coef(ispin)%matrix, fval, matrix_q(ispin)%matrix, &
171 … CALL mao_function(amat, fa1, matrix_q(ispin)%matrix, matrix_smm(1)%matrix, binv, .TRUE.)
175 … CALL mao_function(amat, fa2, matrix_q(ispin)%matrix, matrix_smm(1)%matrix, binv, .TRUE.)
H A Dmao_methods.F71 PUBLIC :: mao_initialization, mao_function, mao_function_gradient, mao_orthogonalization, &
203 SUBROUTINE mao_function(mao_coef, fval, qmat, smat, binv, reuse) subroutine
236 END SUBROUTINE mao_function