Skip to content

Commit ddb8583

Browse files
committed
fix: remove the check of step_relative() > 0
Remove the check (see Colvars#887 (comment))
1 parent 5b5b06a commit ddb8583

File tree

1 file changed

+1
-3
lines changed

1 file changed

+1
-3
lines changed

src/colvar_gpu_calc.cpp

Lines changed: 1 addition & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -446,9 +446,7 @@ int colvarmodule_gpu_calc::calc_cvs(const std::vector<colvar*>& colvars, colvarm
446446
// Update flags
447447
checkColvarsError(cv_update_flags(colvars));
448448
// Calculate total force
449-
if (colvar_module->step_relative() > 0) {
450-
checkColvarsError(cvc_calc_total_force(colvars, colvar_module, false));
451-
}
449+
checkColvarsError(cvc_calc_total_force(colvars, colvar_module, false));
452450
// Read data to atom groups
453451
checkColvarsError(atom_group_read_data_gpu(
454452
colvars, read_data_compute, colvar_module));

0 commit comments

Comments
 (0)