Searched refs:regu_energy (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | pao_param_linpot.F | 370 REAL(KIND=dp) :: regu_energy local
381 regu_energy = 0.0_dp
411 regu_energy = regu_energy + DOT_PRODUCT(block_X(:, 1), MATMUL(block_R, block_X(:, 1)))
458 CALL mp_sum(regu_energy, group)
459 penalty = penalty + regu_energy
480 IF (pao%iw > 0) WRITE (pao%iw, *) "PAO| linpot regularization energy:", regu_energy
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | pao_param_linpot.F | 370 REAL(KIND=dp) :: regu_energy local
381 regu_energy = 0.0_dp
411 regu_energy = regu_energy + DOT_PRODUCT(block_X(:, 1), MATMUL(block_R, block_X(:, 1)))
458 CALL mp_sum(regu_energy, group)
459 penalty = penalty + regu_energy
480 IF (pao%iw > 0) WRITE (pao%iw, *) "PAO| linpot regularization energy:", regu_energy
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