diff --git a/tests/TERAPI-SH-S0/input.in b/tests/TERAPI-SH-S0/input.in index f7d62061..cdbabfe8 100644 --- a/tests/TERAPI-SH-S0/input.in +++ b/tests/TERAPI-SH-S0/input.in @@ -38,6 +38,6 @@ PopThr=0.001, ! minimum population of either state, for which we compu EnergyDifThr=0.50, ! maximum energy difference between two consecutive steps EnergyDriftThr=0.50, ! maximum energy drift from initial total energy substep=100, ! number of substeps for solving ESCH -inac=2 ! Don't calculate NACME +couplings='none', ! non-adiabatic coupling terms 'analytic', 'baeck-an', 'none' nohop=0 ! Turn off surface hopping / diff --git a/tests/TERAPI-SH-S0/input.in2 b/tests/TERAPI-SH-S0/input.in2 index 673d7ceb..9543f8c4 100644 --- a/tests/TERAPI-SH-S0/input.in2 +++ b/tests/TERAPI-SH-S0/input.in2 @@ -39,6 +39,6 @@ PopThr=0.001, ! minimum population of either state, for which we compu EnergyDifThr=0.50, ! maximum energy difference between two consecutive steps EnergyDriftThr=0.50, ! maximum energy drift from initial total energy substep=100, ! number of substeps for solving ESCH -inac=2 ! Don't calculate NACME +couplings='none', ! non-adiabatic coupling terms 'analytic', 'baeck-an', 'none' nohop=0 ! Turn off surface hopping /