From bf669d526bfcce31d40f7f58ff95ff62dc186c34 Mon Sep 17 00:00:00 2001 From: EricPalermo Date: Fri, 24 Mar 2023 15:38:26 -0400 Subject: [PATCH 1/2] test adding file --- src/RHEO/test.txt | 0 1 file changed, 0 insertions(+), 0 deletions(-) create mode 100644 src/RHEO/test.txt diff --git a/src/RHEO/test.txt b/src/RHEO/test.txt new file mode 100644 index 0000000000..e69de29bb2 From 0a3a4c527d987c0b250d208d3559fe5849188c5e Mon Sep 17 00:00:00 2001 From: EricPalermo Date: Fri, 24 Mar 2023 16:43:34 -0400 Subject: [PATCH 2/2] generalized density in dT calculation --- src/RHEO/pair_rheo.cpp | 3 +-- src/RHEO/test.txt | 0 2 files changed, 1 insertion(+), 2 deletions(-) delete mode 100644 src/RHEO/test.txt diff --git a/src/RHEO/pair_rheo.cpp b/src/RHEO/pair_rheo.cpp index d1a30d3b40..f03e2b25cd 100644 --- a/src/RHEO/pair_rheo.cpp +++ b/src/RHEO/pair_rheo.cpp @@ -218,8 +218,7 @@ void PairRHEO::compute(int eflag, int vflag) // Thermal Evolution if (thermal_flag) { dT = dot3(dx, dWij); - dT *= (kappai + kappaj) * (Ti - Tj) * rinv * rinv * voli * volj; - //TODO: Assumes heat capacity and density = 1, needs to be generalized + dT *= (kappai + kappaj) * (Ti - Tj) * rinv * rinv * voli * volj / rho0; // Assumes heat capacity = 1 heatflow[i] += dT; if (newton_pair || j < nlocal) { diff --git a/src/RHEO/test.txt b/src/RHEO/test.txt deleted file mode 100644 index e69de29bb2..0000000000