From 491436608ba3b5fc4e12916bba190e68f02a285f Mon Sep 17 00:00:00 2001 From: Manuel Carrer Date: Tue, 12 Oct 2021 13:12:31 +0200 Subject: [PATCH] Update warning message --- hymd/dipole_reconstruction.f90 | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/hymd/dipole_reconstruction.f90 b/hymd/dipole_reconstruction.f90 index 5e2422be..68736eb9 100644 --- a/hymd/dipole_reconstruction.f90 +++ b/hymd/dipole_reconstruction.f90 @@ -110,7 +110,8 @@ subroutine reconstruct(rab, rb, rcb, box, c_k, d_k, phi, dipole_flag, energy_cbt sin_gamma = sqrt(1 - cos2) if (sin_gamma < 0.1) then - print '(f5.2)', "WARNING: The angle gamma = ", gamm, " is too close to 0 or π." + print *, "DIHEDRAL ROUTINE WARNING (bending potential):" + print '(a, f5.2, a)', "The angle γ =", gamm, " is too close to 0 or π." print *, "There's probably something wrong with the simulation. Setting sin(γ) = 0.1" sin_gamma = 0.1 end if