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Searched refs:n_restraint (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Drestraint.F103 n_restraint = 0
126 n_restraint = n_restraint + 1
174 n_restraint = n_restraint + n3x3con_restraint
179 n_restraint = n_restraint + n4x6con_restraint
184 n_restraint = n_restraint + ncolv%nrestraint
189 CALL mp_sum(n_restraint, force_env%para_env%group)
190 IF (n_restraint > 0) THEN
197 n_restraint = 0
204 n_restraint = n_restraint + gci%ng3x3_restraint
209 n_restraint = n_restraint + gci%ng4x6_restraint
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Drestraint.F103 n_restraint = 0
126 n_restraint = n_restraint + 1
174 n_restraint = n_restraint + n3x3con_restraint
179 n_restraint = n_restraint + n4x6con_restraint
184 n_restraint = n_restraint + ncolv%nrestraint
189 CALL mp_sum(n_restraint, force_env%para_env%group)
190 IF (n_restraint > 0) THEN
197 n_restraint = 0
204 n_restraint = n_restraint + gci%ng3x3_restraint
209 n_restraint = n_restraint + gci%ng4x6_restraint
[all …]