Searched refs:rtp_coeff_aux_fit (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | rtp_admm_methods.F | 125 CALL get_rtp(rtp=rtp, admm_mos=rtp_coeff_aux_fit)
139 CALL rtp_admm_calculate_dm(admm_env, rtp_coeff_aux_fit, &
184 rtp_coeff_aux_fit, ispin)
352 rtp_coeff_aux_fit(2*ispin - 1)%matrix)
355 rtp_coeff_aux_fit(2*ispin)%matrix)
372 rtp_coeff_aux_fit, ispin) argument
388 alpha = 3*one - REAL(SIZE(rtp_coeff_aux_fit)/2, dp)
390 CALL cp_fm_get_info(rtp_coeff_aux_fit(re)%matrix, ncol_global=ncol)
392 matrix_v=rtp_coeff_aux_fit(re)%matrix, &
393 matrix_g=rtp_coeff_aux_fit(re)%matrix, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | rtp_admm_methods.F | 118 CALL get_rtp(rtp=rtp, admm_mos=rtp_coeff_aux_fit)
132 CALL rtp_admm_calculate_dm(admm_env, rtp_coeff_aux_fit, &
176 rtp_coeff_aux_fit, ispin)
344 rtp_coeff_aux_fit(2*ispin - 1)%matrix)
347 rtp_coeff_aux_fit(2*ispin)%matrix)
364 rtp_coeff_aux_fit, ispin) argument
380 alpha = 3*one - REAL(SIZE(rtp_coeff_aux_fit)/2, dp)
382 CALL cp_fm_get_info(rtp_coeff_aux_fit(re)%matrix, ncol_global=ncol)
384 matrix_v=rtp_coeff_aux_fit(re)%matrix, &
385 matrix_g=rtp_coeff_aux_fit(re)%matrix, &
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