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Fix tol for CCE test, Fist tests

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alazzaro committed Jun 26, 2019
1 parent 643732a commit 6a13577e836c19f7994a2cefe28b672fc53fab0b
Showing with 2 additions and 2 deletions.
  1. +2 −2 tests/Fist/regtest-opt/TEST_FILES
@@ -6,7 +6,7 @@
# Geometry optimisation
geo_opt_bfgs.inp 11 1.0E-14 -35.282422070543703
geo_opt_cg_2pnt.inp 11 2e-14 -35.282422123859703
geo_opt_cg_fit.inp 11 1.0E-14 -35.2824221258401
geo_opt_cg_fit.inp 11 1.0E-12 -35.2824221258401
geo_opt_cg_gold.inp 11 1.0E-14 -35.282422125930793
geo_opt_lbfgs.inp 11 1.0E-14 -35.282422125160856
# Direct cell optimisation (combined geometry and cell optimiser)
@@ -23,7 +23,7 @@ cell_opt_lbfgs_geo_opt_lbfgs.inp 11 4e-09 -
# Geometry optimisation using core-shell models
cs_geo_opt_bfgs.inp 11 1.0E-14 -34.165775691654950
cs_geo_opt_cg_2pnt.inp 11 2e-14 -34.165775860241943
cs_geo_opt_cg_fit.inp 11 1.0E-14 -34.165775838192260
cs_geo_opt_cg_fit.inp 11 1.0E-11 -34.165775838192260
cs_geo_opt_cg_gold.inp 11 1.0E-14 -34.165775835825670
cs_geo_opt_lbfgs.inp 11 1.0E-14 -34.165775670048319
# Direct cell optimisation using core-shell models

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