From 77d3599b68adc1ca97e41caa2c3b78ca2f9b146d Mon Sep 17 00:00:00 2001 From: cschran Date: Mon, 2 Sep 2019 16:18:00 +0200 Subject: [PATCH] PINT: Improve description of coupling --- src/motion/helium_methods.F | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/src/motion/helium_methods.F b/src/motion/helium_methods.F index 34f1b13f22..651c359fc5 100644 --- a/src/motion/helium_methods.F +++ b/src/motion/helium_methods.F @@ -644,7 +644,9 @@ CONTAINS CPABORT(msg_str) END IF msg_str = "Using multiple-time stepping in imaginary time for solute to couple "// & - "to fewer solvent beads. Warning: Avoid too large coupling factors." + "to fewer solvent beads, e.g. for factor 3: "// & + "he_1 - 3*sol_1; he_2 - 3*sol_4... "// & + "Avoid too large coupling factors." CPWARN(msg_str) ELSE IF (helium_env(k)%helium%solute_beads < helium_env(k)%helium%beads) THEN ! Imaginary time striding for solvent: