From 2def00d4c9007ecb3ac86b59a5e2b5dc38882ca2 Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Wed, 10 Oct 2018 14:18:00 -0600 Subject: [PATCH 1/3] Add missing files to .gitignore --- src/.gitignore | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/src/.gitignore b/src/.gitignore index 5699a87089..4f517af3af 100644 --- a/src/.gitignore +++ b/src/.gitignore @@ -269,6 +269,8 @@ /compute_dpd.h /compute_dpd_atom.cpp /compute_dpd_atom.h +/compute_entropy_atom.cpp +/compute_entropy_atom.h /compute_erotate_asphere.cpp /compute_erotate_asphere.h /compute_erotate_rigid.cpp @@ -311,8 +313,8 @@ /compute_spec_atom.h /compute_stress_mop.cpp /compute_stress_mop.h -/compute_stress_mop.profile.cpp -/compute_stress_mop.profile.h +/compute_stress_mop_profile.cpp +/compute_stress_mop_profile.h /compute_stress_tally.cpp /compute_stress_tally.h /compute_temp_asphere.cpp @@ -746,6 +748,8 @@ /pair_eam_cd.h /pair_eam_fs.cpp /pair_eam_fs.h +/pair_lj_expand_coul_long.cpp +/pair_lj_expand_coul_long.h /pair_edip.cpp /pair_edip.h /pair_edip_multi.cpp From 7cce002cf992a5f430239772da5af587a48d1b59 Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Wed, 10 Oct 2018 14:18:24 -0600 Subject: [PATCH 2/3] Makefile fix from the mailing list --- src/Makefile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/Makefile b/src/Makefile index eefc64b274..7d31c81c75 100644 --- a/src/Makefile +++ b/src/Makefile @@ -74,7 +74,7 @@ PACKSYS = compress mpiio python user-lb PACKINT = gpu kokkos meam message poems reax user-atc user-awpmd user-colvars -PACKEXT = kim mscg voronoi \ +PACKEXT = kim latte mscg voronoi \ user-h5md user-molfile user-netcdf user-qmmm user-quip \ user-smd user-vtk From a1266a1a1ec95a3a6eb5a440edc8e27d97f48f48 Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Wed, 10 Oct 2018 14:19:23 -0600 Subject: [PATCH 3/3] Fix compile error with copysign function --- src/USER-MISC/compute_stress_mop.cpp | 6 +++--- src/USER-MISC/compute_stress_mop_profile.cpp | 2 +- src/USER-SMD/smd_math.h | 2 +- 3 files changed, 5 insertions(+), 5 deletions(-) diff --git a/src/USER-MISC/compute_stress_mop.cpp b/src/USER-MISC/compute_stress_mop.cpp index f764e0ee7e..e63dff507f 100644 --- a/src/USER-MISC/compute_stress_mop.cpp +++ b/src/USER-MISC/compute_stress_mop.cpp @@ -397,13 +397,13 @@ void ComputeStressMop::compute_pairs() // at each timestep, must check atoms going through the // image of the plane that is closest to the box - double pos_temp = pos+copysign(1,domain->prd_half[dir]-pos)*domain->prd[dir]; + double pos_temp = pos+copysign(1.0,domain->prd_half[dir]-pos)*domain->prd[dir]; if (fabs(xi[dir]-pos) limit) { // limit delVdotDelR to a fraction of speed of sound - x = limit * copysign(1, x); + x = limit * copysign(1.0, x); } }