Searched refs:mao_function (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mao_optimizer.F | 21 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.)
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H A D | mao_methods.F | 71 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
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mao_optimizer.F | 21 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.)
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H A D | mao_methods.F | 71 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
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