Commit2 JT 072319

- corrected some mistakes in doc files - modified oso examples to match new line options
2019-07-23 11:24:52 -06:00
parent f0679cff6d
commit f1c3b9d0bf
6 changed files with 13 additions and 12 deletions
--- a/src/SPIN/neb_spin.cpp
+++ b/src/SPIN/neb_spin.cpp
@ -650,7 +650,7 @@ int NEBSpin::initial_rotation(double *spi, double *sploc, double fraction)
  kcrossy = kz*spix - kx*spiz;
  kcrossz = kx*spiy - ky*spix;

-  kdots = kx*spix + ky*spiz + kz*spiz;
+  kdots = kx*spix + ky*spiy + kz*spiz;

  omega = acos(sidotsf);
  omega *= fraction;