Remove option relaxbox from adaptglok: wrong behavior with non-P boundaries. Code cleanup.

This commit is contained in:
jguenole
2019-05-29 10:37:53 +02:00
parent 58d99f5e1f
commit c2e4009106
7 changed files with 13 additions and 237 deletions

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@ -69,12 +69,6 @@ class Min : protected Pointers {
int halfstepback_flag; // half step backward when v.f <= 0.0
int delaystep_start_flag; // delay the initial dt_shrink
int max_vdotf_negatif; // maximum iteration with v.f > 0.0
double relaxbox_mod; // Bulk modulus used for box relax
double relaxbox_rate; // for box relaxation to 0 pressure
int relaxbox_flag; // 1: box relaxation iso; 2: aniso
double ptol; // pressure threshold for boxrelax
int p_flag[3];
int dimension;
int nelist_global,nelist_atom; // # of PE,virial computes to check
int nvlist_global,nvlist_atom;