upgrades to read/write data commands

2023-09-15 16:49:56 -06:00
parent 30f7328841
commit c5b2d66283
9 changed files with 52 additions and 28 deletions
--- a/src/atom_vec_ellipsoid.cpp
+++ b/src/atom_vec_ellipsoid.cpp
@ -495,11 +495,11 @@ void AtomVecEllipsoid::write_data_restricted_to_general()
 {
  AtomVec::write_data_restricted_to_general();

-  double quat[4],quat_r2g[4];
+  double quat[4];
  double *bquat;
-  
+  double *quat_r2g = domain->quat_r2g;
+
  memory->create(quat_hold,nlocal_bonus,4,"atomvec:quat_hold");
-  MathExtra::qconjugate(domain->quat_g2r,quat_r2g);
  
  for (int i = 0; i < nlocal_bonus; i++) {
    bquat = bonus[i].quat;