Searched refs:invert_derivative (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | semi_empirical_int_ana.F | 315 IF (invert .AND. l_de1b) CALL invert_derivative(sepi, sepi, dint1el=de1b)
316 IF (invert .AND. l_de2a) CALL invert_derivative(sepj, sepj, dint1el=de2a)
831 SUBROUTINE invert_derivative(sepi, sepj, dint1el, dint2el) subroutine
868 END SUBROUTINE invert_derivative
1550 IF (invert) CALL invert_derivative(sepi, sepj, dint2el=dw)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | semi_empirical_int_ana.F | 315 IF (invert .AND. l_de1b) CALL invert_derivative(sepi, sepi, dint1el=de1b)
316 IF (invert .AND. l_de2a) CALL invert_derivative(sepj, sepj, dint1el=de2a)
831 SUBROUTINE invert_derivative(sepi, sepj, dint1el, dint2el) subroutine
868 END SUBROUTINE invert_derivative
1550 IF (invert) CALL invert_derivative(sepi, sepj, dint2el=dw)
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