Increase tol

prckent · prckent · commit 0a36a26be630 · 2025-02-20T09:57:17.000-05:00
diff --git a/examples/molecules/He/CMakeLists.txt b/examples/molecules/He/CMakeLists.txt
@@ -61,7 +61,7 @@ if(NOT QMC_COMPLEX)
     HE_SIMPLE_OPT_SCALARS # final optimized series
   )
 
-  list(APPEND HE_FROM_GAMESS_SCALARS "totenergy" "-2.872 .006") # total energy
+  list(APPEND HE_FROM_GAMESS_SCALARS "totenergy" "-2.872 .009") # total energy
 
   qmc_run_and_check(
     example_He_from_gamess

Original file line number	Diff line number	Diff line change
`@@ -61,7 +61,7 @@ if(NOT QMC_COMPLEX)`
`61`	`61`	`HE_SIMPLE_OPT_SCALARS # final optimized series`
`62`	`62`	`)`
`63`	`63`
`64`		`- list(APPEND HE_FROM_GAMESS_SCALARS "totenergy" "-2.872 .006") # total energy`
	`64`	`+ list(APPEND HE_FROM_GAMESS_SCALARS "totenergy" "-2.872 .009") # total energy`
`65`	`65`
`66`	`66`	`qmc_run_and_check(`
`67`	`67`	`example_He_from_gamess`