Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
a05fa107d8ff
Actions

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Oct 9 2014, 19:03.

Description

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms

Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
lib/cuda/Makefile.defaults
lib/cuda/Makefile.lammps
lib/cuda/pair_cg_cmm_coul_cut_cuda.cu
lib/cuda/pair_cg_cmm_coul_debye_cuda.cu
lib/cuda/pair_cg_cmm_coul_long_cuda.cu
lib/cuda/pair_cg_cmm_cuda.cu
lib/cuda/pair_cg_cmm_cuda_kernel_nc.cu
src/USER-FEP/fix_adapt_fep.cpp
src/molecule.cpp

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Oct 9 2014, 19:03

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS1c2823133189: Added metadata line to each potential file
rLAMMPS7565863302ab: another update from the user-fep git repo

Branches

Unknown

Tags

Unknown

Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSa05fa107d8ff: Merge remote-tracking branch 'lammps-ro/master' into lammps-icms (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Oct 9 2014, 19:03

Merged Changes

Commit	Author	Details	Committed
1c2823133189	athomps	Added metadata line to each potential file	Oct 9 2014
dd4f79e2b8db	athomps	Added rhomax assignment	Oct 8 2014
0927e4d40126	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12622 f3b2605a-c512-4ea7…	Oct 8 2014
166a9c5bc791	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12621 f3b2605a-c512-4ea7…	Oct 8 2014
48baa5ba69ee	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12620 f3b2605a-c512-4ea7…	Oct 8 2014
d7e9e4133e09	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12619 f3b2605a-c512-4ea7…	Oct 8 2014
f346f90c4e44	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12618 f3b2605a-c512-4ea7…	Oct 8 2014
9ad09005a677	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12617 f3b2605a-c512-4ea7…	Oct 7 2014
53608d09a652	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12616 f3b2605a-c512-4ea7…	Oct 7 2014
1cf0407a49f7	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12615 f3b2605a-c512-4ea7…	Oct 7 2014
1b1c6a422847	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12614 f3b2605a-c512-4ea7…	Oct 7 2014
211c12c39e36	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12613 f3b2605a-c512-4ea7…	Oct 7 2014
044084847b51	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12612 f3b2605a-c512-4ea7…	Oct 7 2014
3c0612815faf	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12611 f3b2605a-c512-4ea7…	Oct 7 2014
c59d3e655969	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12610 f3b2605a-c512-4ea7…	Oct 7 2014
b14e621ecdaa	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12609 f3b2605a-c512-4ea7…	Oct 7 2014
c1a148f66ed1	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12607 f3b2605a-c512-4ea7…	Oct 7 2014
66d4a1fd158a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12606 f3b2605a-c512-4ea7…	Oct 7 2014
bd26134155d9	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12605 f3b2605a-c512-4ea7…	Oct 7 2014
de88af10e23b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12604 f3b2605a-c512-4ea7…	Oct 7 2014
5be413fc73e8	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12602 f3b2605a-c512-4ea7…	Oct 7 2014
6b7d9371947f	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12601 f3b2605a-c512-4ea7…	Oct 7 2014
6bea73f245f5	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12600 f3b2605a-c512-4ea7…	Oct 7 2014
6ba871c80ff7	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12599 f3b2605a-c512-4ea7…	Oct 7 2014
c5ad12114d7c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12598 f3b2605a-c512-4ea7…	Oct 7 2014
06836dc54e6c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12597 f3b2605a-c512-4ea7…	Oct 7 2014
69f2390b0685	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12596 f3b2605a-c512-4ea7…	Oct 7 2014
0377592bd58a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12595 f3b2605a-c512-4ea7…	Oct 7 2014
82c5e92498c8	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12594 f3b2605a-c512-4ea7…	Oct 7 2014
e6f242658b00	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12593 f3b2605a-c512-4ea7…	Oct 7 2014
16dcead2d21a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12592 f3b2605a-c512-4ea7…	Oct 7 2014
fcad656d92d2	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12591 f3b2605a-c512-4ea7…	Oct 7 2014
7c748bb17f8b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12590 f3b2605a-c512-4ea7…	Oct 7 2014
352e1e9df418	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12589 f3b2605a-c512-4ea7…	Oct 7 2014
621fa7d600d6	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12588 f3b2605a-c512-4ea7…	Oct 7 2014
4bb43ca88578	athomps	Added warning to README file	Oct 7 2014
f455fcb9b05b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12586 f3b2605a-c512-4ea7…	Oct 7 2014
be637914ebb8	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12585 f3b2605a-c512-4ea7…	Oct 7 2014
b64e7be6482c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12584 f3b2605a-c512-4ea7…	Oct 6 2014
0d33aaee2d10	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12583 f3b2605a-c512-4ea7…	Oct 6 2014

Changes (438)

		Path
M		bench/FERMI/README
M		bench/README
M		doc/Manual.html
M		doc/Manual.txt
M		doc/Section_accelerate.html
M		doc/Section_accelerate.txt
M		doc/Section_start.html
M		doc/Section_start.txt
M		doc/accelerate_cuda.html
M		doc/accelerate_cuda.txt
M		doc/accelerate_gpu.html
M		doc/accelerate_gpu.txt
M		doc/accelerate_intel.html
M		doc/accelerate_intel.txt
M		doc/accelerate_kokkos.html
M		doc/accelerate_kokkos.txt
M		doc/accelerate_omp.html
M		doc/accelerate_omp.txt
M		doc/accelerate_opt.html
M		doc/accelerate_opt.txt
M		doc/fix.html
M		doc/fix.txt
M		doc/fix_qeq.html
M		doc/fix_qeq.txt
M		doc/fix_qeq_reax.html
M		doc/fix_qeq_reax.txt
M		examples/README
A	(dir)	examples/accelerate/
A		examples/accelerate/Make.list
A		examples/accelerate/README
V		examples/{accelerate ← cuda}/data.phosphate
A		examples/accelerate/in.lc
V		examples/{accelerate/in.lj ← kokkos/in.kokkos.half}
V		examples/{accelerate/in.lj.5.0 ← kokkos/in.kokkos}
V		examples/{accelerate/in.phosphate ← gpu/in.gpu.phosphate}
V		examples/{accelerate/in.rhodo ← cuda/in.cuda.rhodo}
V		examples/{accelerate/log.lj.1Feb14.gpu.1 ← gpu/log.gpu.melt.2.5.1Feb14.linux.1}
V		examples/{accelerate/log.lj.1Feb14.gpu.4 ← gpu/log.gpu.melt.2.5.1Feb14.linux.4}
V		examples/{accelerate/log.lj.1Feb14.kokkos.cuda.1 ← kokkos/log.kokkos.1Feb14.gpu.1}
V		examples/{accelerate/log.lj.1Feb14.kokkos.cuda.2 ← kokkos/log.kokkos.1Feb14.gpu.2}
V		examples/{accelerate/log.lj.1Feb14.kokkos.omp.1 ← kokkos/log.kokkos.1Feb14.cpu.1}
V		examples/{accelerate/log.lj.1Feb14.kokkos.omp.4 ← kokkos/log.kokkos.1Feb14.cpu.4}
V		examples/{accelerate/log.lj.5.0.1Feb14.gpu.1 ← gpu/log.gpu.melt.5.0.1Feb14.linux.1}
V		examples/{accelerate/log.lj.5.0.1Feb14.gpu.4 ← gpu/log.gpu.melt.5.0.1Feb14.linux.4}
V		examples/{accelerate/log.phosphate.1Feb14.gpu.1 ← gpu/log.gpu.phosphate.1Feb14.linux.1}
V		examples/{accelerate/log.phosphate.1Feb14.gpu.4 ← gpu/log.gpu.phosphate.1Feb14.linux.4}
V		examples/{accelerate/log.rhodo.1Feb14.gpu.1 ← gpu/log.gpu.rhodo.1Feb14.linux.1}
V		examples/{accelerate/log.rhodo.1Feb14.gpu.4 ← gpu/log.gpu.rhodo.1Feb14.linux.4}
D		examples/cuda
D		examples/cuda/README
V		examples/{cuda → accelerate}/data.phosphate
D		examples/cuda/data.rhodo
D		examples/cuda/in.cuda.melt.2.5
D		examples/cuda/in.cuda.melt.5.0
D		examples/cuda/in.cuda.phosphate
V		examples/{cuda/in.cuda.rhodo → accelerate/in.rhodo}
D		examples/gpu
D		examples/gpu/README
D		examples/gpu/data.phosphate
D		examples/gpu/data.rhodo
D		examples/gpu/in.gpu.melt.2.5
D		examples/gpu/in.gpu.melt.5.0
V		examples/{gpu/in.gpu.phosphate → accelerate/in.phosphate}
D		examples/gpu/in.gpu.rhodo
V		examples/{gpu/log.gpu.melt.2.5.1Feb14.linux.1 → accelerate/log.lj.1Feb14.gpu.1}
V		examples/{gpu/log.gpu.melt.2.5.1Feb14.linux.4 → accelerate/log.lj.1Feb14.gpu.4}
V		examples/{gpu/log.gpu.melt.5.0.1Feb14.linux.1 → accelerate/log.lj.5.0.1Feb14.gpu.1}
V		examples/{gpu/log.gpu.melt.5.0.1Feb14.linux.4 → accelerate/log.lj.5.0.1Feb14.gpu.4}
V		examples/{gpu/log.gpu.phosphate.1Feb14.linux.1 → accelerate/log.phosphate.1Feb14.gpu.1}
V		examples/{gpu/log.gpu.phosphate.1Feb14.linux.4 → accelerate/log.phosphate.1Feb14.gpu.4}
V		examples/{gpu/log.gpu.rhodo.1Feb14.linux.1 → accelerate/log.rhodo.1Feb14.gpu.1}
V		examples/{gpu/log.gpu.rhodo.1Feb14.linux.4 → accelerate/log.rhodo.1Feb14.gpu.4}
D		examples/intel
D		examples/intel/README
D		examples/intel/in.intel.lc
D		examples/intel/in.intel.rhodo
D		examples/kokkos
D		examples/kokkos/README
V		examples/{kokkos/in.kokkos → accelerate/in.lj.5.0}
V		examples/{kokkos/in.kokkos.half → accelerate/in.lj}
V		examples/{kokkos/log.kokkos.1Feb14.cpu.1 → accelerate/log.lj.1Feb14.kokkos.omp.1}
V		examples/{kokkos/log.kokkos.1Feb14.cpu.4 → accelerate/log.lj.1Feb14.kokkos.omp.4}
V		examples/{kokkos/log.kokkos.1Feb14.gpu.1 → accelerate/log.lj.1Feb14.kokkos.cuda.1}
V		examples/{kokkos/log.kokkos.1Feb14.gpu.2 → accelerate/log.lj.1Feb14.kokkos.cuda.2}
D		examples/kokkos/log.kokkos.1Feb14.mpionly.1
D		examples/kokkos/log.kokkos.1Feb14.mpionly.4
M		lib/cuda/Makefile.defaults
M		lib/cuda/atom_vec_cuda.cu
M		lib/cuda/atom_vec_cuda_kernel.cu
M		lib/cuda/comm_cuda.cu
M		lib/cuda/comm_cuda_kernel.cu
M		lib/cuda/compute_temp_cuda.cu
M		lib/cuda/compute_temp_cuda_cu.h
M		lib/cuda/compute_temp_cuda_kernel.cu
M		lib/cuda/compute_temp_partial_cuda.cu
M		lib/cuda/compute_temp_partial_cuda_cu.h
M		lib/cuda/compute_temp_partial_cuda_kernel.cu
M		lib/cuda/crm_cuda_utils.cu
M		lib/cuda/cuda.cu
M		lib/cuda/cuda_common.h
M		lib/cuda/cuda_pair.cu
M		lib/cuda/cuda_pair_kernel.cu
M		lib/cuda/cuda_pair_virial_kernel_nc.cu
M		lib/cuda/cuda_precision.h
M		lib/cuda/cuda_shared.h
M		lib/cuda/domain.cu
M		lib/cuda/domain_kernel.cu
M		lib/cuda/fft3d_cuda.cu
M		lib/cuda/fft3d_cuda_cu.h
M		lib/cuda/fft3d_cuda_kernel.cu
M		lib/cuda/fix_addforce_cuda.cu
M		lib/cuda/fix_addforce_cuda_cu.h
M		lib/cuda/fix_addforce_cuda_kernel.cu
M		lib/cuda/fix_aveforce_cuda.cu
M		lib/cuda/fix_aveforce_cuda_cu.h
M		lib/cuda/fix_aveforce_cuda_kernel.cu
M		lib/cuda/fix_enforce2d_cuda.cu
M		lib/cuda/fix_freeze_cuda.cu
M		lib/cuda/fix_freeze_cuda_cu.h
M		lib/cuda/fix_freeze_cuda_kernel.cu
M		lib/cuda/fix_gravity_cuda.cu
M		lib/cuda/fix_gravity_cuda_cu.h
M		lib/cuda/fix_gravity_cuda_kernel.cu
M		lib/cuda/fix_nh_cuda.cu
M		lib/cuda/fix_nh_cuda_cu.h
M		lib/cuda/fix_nh_cuda_kernel.cu
M		lib/cuda/fix_nve_cuda.cu
M		lib/cuda/fix_nve_cuda_cu.h
M		lib/cuda/fix_nve_cuda_kernel.cu
M		lib/cuda/fix_set_force_cuda.cu
M		lib/cuda/fix_set_force_cuda_cu.h
M		lib/cuda/fix_set_force_cuda_kernel.cu
M		lib/cuda/fix_shake_cuda.cu
M		lib/cuda/fix_shake_cuda_cu.h
M		lib/cuda/fix_shake_cuda_kernel.cu
M		lib/cuda/fix_temp_berendsen_cuda.cu
M		lib/cuda/fix_temp_berendsen_cuda_kernel.cu
M		lib/cuda/fix_temp_rescale_cuda.cu
M		lib/cuda/fix_temp_rescale_cuda_kernel.cu
M		lib/cuda/fix_temp_rescale_limit_cuda.cu
M		lib/cuda/fix_temp_rescale_limit_cuda_kernel.cu
M		lib/cuda/fix_viscous_cuda.cu
M		lib/cuda/fix_viscous_cuda_kernel.cu
M		lib/cuda/neighbor.cu
M		lib/cuda/neighbor_kernel.cu
M		lib/cuda/pair_born_coul_long_cuda.cu
M		lib/cuda/pair_born_coul_long_cuda_kernel_nc.cu
M		lib/cuda/pair_buck_coul_cut_cuda.cu
M		lib/cuda/pair_buck_coul_long_cuda.cu
M		lib/cuda/pair_buck_cuda.cu
M		lib/cuda/pair_buck_cuda_kernel_nc.cu
M		lib/cuda/pair_eam_cuda.cu
M		lib/cuda/pair_eam_cuda_kernel_nc.cu
M		lib/cuda/pair_gran_hooke_cuda.cu
M		lib/cuda/pair_gran_hooke_cuda_kernel_nc.cu
M		lib/cuda/pair_lj96_cut_cuda.cu
M		lib/cuda/pair_lj96_cut_cuda_kernel_nc.cu
M		lib/cuda/pair_lj_charmm_coul_charmm_cuda.cu
M		lib/cuda/pair_lj_charmm_coul_charmm_cuda_cu.h
M		lib/cuda/pair_lj_charmm_coul_charmm_cuda_kernel_nc.cu
M		lib/cuda/pair_lj_charmm_coul_charmm_implicit_cuda.cu
M		lib/cuda/pair_lj_charmm_coul_charmm_implicit_cuda_cu.h
M		lib/cuda/pair_lj_charmm_coul_charmm_implicit_cuda_kernel_nc.cu
M		lib/cuda/pair_lj_charmm_coul_long_cuda.cu
M		lib/cuda/pair_lj_charmm_coul_long_cuda_cu.h
M		lib/cuda/pair_lj_class2_coul_cut_cuda.cu
M		lib/cuda/pair_lj_class2_coul_long_cuda.cu
M		lib/cuda/pair_lj_class2_cuda.cu
M		lib/cuda/pair_lj_class2_cuda_kernel_nc.cu
M		lib/cuda/pair_lj_cut_coul_cut_cuda.cu
M		lib/cuda/pair_lj_cut_coul_debye_cuda.cu
M		lib/cuda/pair_lj_cut_coul_long_cuda.cu
M		lib/cuda/pair_lj_cut_cuda.cu
M		lib/cuda/pair_lj_cut_cuda_kernel_nc.cu
M		lib/cuda/pair_lj_cut_experimental_cuda.cu
M		lib/cuda/pair_lj_expand_cuda.cu
M		lib/cuda/pair_lj_expand_cuda_kernel_nc.cu
M		lib/cuda/pair_lj_gromacs_coul_gromacs_cuda.cu
M		lib/cuda/pair_lj_gromacs_coul_gromacs_cuda_cu.h
M		lib/cuda/pair_lj_gromacs_coul_gromacs_cuda_kernel_nc.cu
M		lib/cuda/pair_lj_gromacs_cuda.cu
M		lib/cuda/pair_lj_gromacs_cuda_kernel_nc.cu
M		lib/cuda/pair_lj_sdk_coul_cut_cuda.cu
M		lib/cuda/pair_lj_sdk_coul_debye_cuda.cu
M		lib/cuda/pair_lj_sdk_coul_long_cuda.cu
M		lib/cuda/pair_lj_sdk_cuda.cu
M		lib/cuda/pair_lj_sdk_cuda_kernel_nc.cu
M		lib/cuda/pair_lj_smooth_cuda.cu
M		lib/cuda/pair_lj_smooth_cuda_kernel_nc.cu
M		lib/cuda/pair_morse_coul_long_cuda.cu
M		lib/cuda/pair_morse_coul_long_cuda_kernel_nc.cu
M		lib/cuda/pair_morse_cuda.cu
M		lib/cuda/pair_morse_cuda_kernel_nc.cu
M		lib/cuda/pair_sw_cuda.cu
M		lib/cuda/pair_sw_cuda_cu.h
M		lib/cuda/pair_sw_cuda_kernel_nc.cu
M		lib/cuda/pair_tersoff_cuda.cu
M		lib/cuda/pair_tersoff_cuda_cu.h
M		lib/cuda/pair_tersoff_cuda_kernel_nc.cu
M		lib/cuda/pppm_cuda.cu
M		lib/cuda/pppm_cuda_cu.h
M		lib/cuda/pppm_cuda_kernel.cu
M		lib/kokkos/Makefile.lammps
M		potentials/Ag_u3.eam
M		potentials/AlCu.adp
M		potentials/AlCu.eam.alloy
M		potentials/AlFe_mm.eam.fs
M		potentials/AlSiMgCuFe.meam
M		potentials/Al_jnp.eam
M		potentials/Al_mm.eam.fs
M		potentials/Al_zhou.eam.alloy
M		potentials/Au_u3.eam
M		potentials/BNC.tersoff
M		potentials/C.lcbop
M		potentials/CH.airebo
M		potentials/CdTe.bop
M		potentials/CdTe.bop.table
M		potentials/CdTe.sw
M		potentials/CoAl.eam.alloy
M		potentials/Cu.meam
M		potentials/CuNi.eam.alloy
M		potentials/CuZr_mm.eam.fs
M		potentials/Cu_mishin1.eam.alloy
M		potentials/Cu_smf7.eam
M		potentials/Cu_u3.eam
M		potentials/Cu_u6.eam
M		potentials/Cu_zhou.eam.alloy
M		potentials/FeCr.cdeam
M		potentials/FeP_mm.eam.fs
M		potentials/Fe_mm.eam.fs
M		potentials/GaAs.bop
M		potentials/GaAs.bop.table
M		potentials/GaN.sw
M		potentials/GaN.tersoff
M		potentials/MOH.nb3b.harmonic
M		potentials/Mg_mm.eam.fs
M		potentials/Ni.adp
M		potentials/Ni.meam
M		potentials/NiAlH_jea.eam.alloy
M		potentials/NiAlH_jea.eam.fs
M		potentials/Ni_smf7.eam
M		potentials/Ni_u3.eam
M		potentials/Pd_u3.eam
M		potentials/Pt_u3.eam
M		potentials/README
M		potentials/Si.b.meam.sw.spline
M		potentials/Si.edip
M		potentials/Si.sw
M		potentials/Si.tersoff
M		potentials/Si.tersoff.mod
M		potentials/SiC.meam
M		potentials/SiC.tersoff
M		potentials/SiC.tersoff.zbl
M		potentials/SiCGe.tersoff
M		potentials/SiC_1989.tersoff
M		potentials/SiC_1990.tersoff
M		potentials/SiC_1994.tersoff
M		potentials/SiC_Erhart-Albe.tersoff
M		potentials/SiO.tersoff
M		potentials/Si_1.meam.spline
M		potentials/Si_2.meam.spline
M		potentials/Ta06A.snapcoeff
M		potentials/Ta06A.snapparam
M		potentials/Ta06A_pot.snap
M		potentials/Ti.meam.spline
M		potentials/Ti.meam.sw.spline
M		potentials/VFe_mm.eam.fs
M		potentials/W_zhou.eam.alloy
M		potentials/Zr_mm.eam.fs
M		potentials/ffield.comb
M		potentials/ffield.comb3
M		potentials/ffield.eim
M		potentials/ffield.reax.AB
M		potentials/ffield.reax.AuO
M		potentials/ffield.reax.FC
M		potentials/ffield.reax.Fe_O_C_H
M		potentials/ffield.reax.V_O_C_H
M		potentials/ffield.reax.ZnOH
M		potentials/ffield.reax.budzien
M		potentials/ffield.reax.cho
M		potentials/ffield.reax.lg
M		potentials/ffield.reax.mattsson
M		potentials/ffield.reax.rdx
M		potentials/lib.comb3
M		potentials/library.meam
D		src/MAKE/MACHINES/Makefile.altix
M		src/MAKE/MACHINES/Makefile.beacon
M		src/MAKE/MACHINES/Makefile.bgl
M		src/MAKE/MACHINES/Makefile.chama
M		src/MAKE/MACHINES/Makefile.cygwin
D		src/MAKE/MACHINES/Makefile.encanto
D		src/MAKE/MACHINES/Makefile.fink
M		src/MAKE/MACHINES/Makefile.glory
M		src/MAKE/MACHINES/Makefile.jaguar
M		src/MAKE/MACHINES/Makefile.mac
M		src/MAKE/MACHINES/Makefile.mac_mpi
M		src/MAKE/MACHINES/Makefile.mingw32-cross
M		src/MAKE/MACHINES/Makefile.mingw32-cross-mpi
M		src/MAKE/MACHINES/Makefile.mingw64-cross
M		src/MAKE/MACHINES/Makefile.mingw64-cross-mpi
D		src/MAKE/MACHINES/Makefile.mkl
V		src/MAKE/MACHINES/{Makefile.myrinet ← Makefile.odin}
V		src/MAKE/MACHINES/{Makefile.odin → Makefile.myrinet}
V		src/MAKE/MACHINES/{Makefile.power ← Makefile.power5}
V		src/MAKE/MACHINES/{Makefile.power5 → Makefile.power}
D		src/MAKE/MACHINES/Makefile.qed
M		src/MAKE/MACHINES/Makefile.redsky
D		src/MAKE/MACHINES/Makefile.sdsc
D		src/MAKE/MACHINES/Makefile.seaborg
M		src/MAKE/MACHINES/Makefile.serial
D		src/MAKE/MACHINES/Makefile.sgi
D		src/MAKE/MACHINES/Makefile.solaris
D		src/MAKE/MACHINES/Makefile.spirit
M		src/MAKE/MACHINES/Makefile.stampede
M		src/MAKE/MACHINES/Makefile.tacc
D		src/MAKE/MACHINES/Makefile.tbird
D		src/MAKE/MACHINES/Makefile.tesla
D		src/MAKE/MACHINES/Makefile.tunnison
M		src/MAKE/MACHINES/Makefile.ubuntu
M		src/MAKE/MACHINES/Makefile.ubuntu_simple
M		src/MAKE/MACHINES/Makefile.xe6
M		src/MAKE/MACHINES/Makefile.xt3
M		src/MAKE/MACHINES/Makefile.xt5
M		src/MAKE/Makefile.mpi
M		src/MAKE/Makefile.serial
M		src/MAKE/OPTIONS/Makefile.fftw
M		src/MAKE/OPTIONS/Makefile.intel_cpu
M		src/MAKE/OPTIONS/Makefile.intel_phi
M		src/MAKE/OPTIONS/Makefile.jpeg
M		src/MAKE/OPTIONS/Makefile.kokkos_cuda
M		src/MAKE/OPTIONS/Makefile.kokkos_omp
M		src/MAKE/OPTIONS/Makefile.kokkos_phi
M		src/MAKE/OPTIONS/Makefile.mpich_g++
M		src/MAKE/OPTIONS/Makefile.mpich_icc
M		src/MAKE/OPTIONS/Makefile.mpich_native_g++
M		src/MAKE/OPTIONS/Makefile.mpich_native_icc
M		src/MAKE/OPTIONS/Makefile.omp
M		src/MAKE/OPTIONS/Makefile.ompi_g++
M		src/MAKE/OPTIONS/Makefile.ompi_icc
M		src/MAKE/OPTIONS/Makefile.ompi_native_g++
M		src/MAKE/OPTIONS/Makefile.ompi_native_icc
M		src/MAKE/OPTIONS/Makefile.opt
M		src/MAKE/OPTIONS/Makefile.pgi
M		src/MAKE/OPTIONS/Makefile.png
M		src/MAKE/OPTIONS/Makefile.serial_icc
M		src/MAKE/README
M		src/Make.py
M		src/Makefile
M		src/USER-CUDA/Install.sh
M		src/USER-CUDA/atom_vec_angle_cuda.cpp
M		src/USER-CUDA/atom_vec_atomic_cuda.cpp
M		src/USER-CUDA/atom_vec_charge_cuda.cpp
M		src/USER-CUDA/atom_vec_full_cuda.cpp
M		src/USER-CUDA/comm_cuda.cpp
M		src/USER-CUDA/comm_cuda.h
M		src/USER-CUDA/compute_pressure_cuda.cpp
M		src/USER-CUDA/compute_temp_cuda.cpp
M		src/USER-CUDA/compute_temp_cuda.h
M		src/USER-CUDA/compute_temp_partial_cuda.cpp
M		src/USER-CUDA/compute_temp_partial_cuda.h
M		src/USER-CUDA/cuda.cpp
V		src/USER-CUDA/{cuda.h → user_cuda.h}
M		src/USER-CUDA/cuda_neigh_list.cpp
M		src/USER-CUDA/domain_cuda.cpp
M		src/USER-CUDA/fft3d_cuda.cpp
M		src/USER-CUDA/fix_addforce_cuda.cpp
M		src/USER-CUDA/fix_addforce_cuda.h
M		src/USER-CUDA/fix_aveforce_cuda.cpp
M		src/USER-CUDA/fix_aveforce_cuda.h
M		src/USER-CUDA/fix_enforce2d_cuda.cpp
M		src/USER-CUDA/fix_freeze_cuda.cpp
M		src/USER-CUDA/fix_freeze_cuda.h
M		src/USER-CUDA/fix_gravity_cuda.cpp
M		src/USER-CUDA/fix_nh_cuda.cpp
M		src/USER-CUDA/fix_nh_cuda.h
M		src/USER-CUDA/fix_nve_cuda.cpp
M		src/USER-CUDA/fix_nve_cuda.h
M		src/USER-CUDA/fix_set_force_cuda.cpp
M		src/USER-CUDA/fix_set_force_cuda.h
M		src/USER-CUDA/fix_shake_cuda.cpp
M		src/USER-CUDA/fix_shake_cuda.h
M		src/USER-CUDA/fix_temp_berendsen_cuda.cpp
M		src/USER-CUDA/fix_temp_rescale_cuda.cpp
M		src/USER-CUDA/fix_temp_rescale_limit_cuda.cpp
M		src/USER-CUDA/fix_viscous_cuda.cpp
M		src/USER-CUDA/fix_viscous_cuda.h
M		src/USER-CUDA/modify_cuda.cpp
M		src/USER-CUDA/neigh_full_cuda.cpp
M		src/USER-CUDA/neighbor_cuda.cpp
M		src/USER-CUDA/pair_born_coul_long_cuda.cpp
M		src/USER-CUDA/pair_buck_coul_cut_cuda.cpp
M		src/USER-CUDA/pair_buck_coul_long_cuda.cpp
M		src/USER-CUDA/pair_buck_cuda.cpp
M		src/USER-CUDA/pair_eam_cuda.cpp
M		src/USER-CUDA/pair_eam_cuda.h
M		src/USER-CUDA/pair_gran_hooke_cuda.cpp
M		src/USER-CUDA/pair_lj96_cut_cuda.cpp
M		src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.cpp
M		src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.h
M		src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.cpp
M		src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.h
M		src/USER-CUDA/pair_lj_charmm_coul_long_cuda.cpp
M		src/USER-CUDA/pair_lj_charmm_coul_long_cuda.h
M		src/USER-CUDA/pair_lj_class2_coul_cut_cuda.cpp
M		src/USER-CUDA/pair_lj_class2_coul_long_cuda.cpp
M		src/USER-CUDA/pair_lj_class2_cuda.cpp
M		src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp
M		src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp
M		src/USER-CUDA/pair_lj_cut_coul_long_cuda.cpp
M		src/USER-CUDA/pair_lj_cut_cuda.cpp
M		src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp
M		src/USER-CUDA/pair_lj_expand_cuda.cpp
M		src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp
M		src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.h
M		src/USER-CUDA/pair_lj_gromacs_cuda.cpp
M		src/USER-CUDA/pair_lj_gromacs_cuda.h
M		src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp
M		src/USER-CUDA/pair_lj_sdk_cuda.cpp
M		src/USER-CUDA/pair_lj_sdk_cuda.h
M		src/USER-CUDA/pair_lj_smooth_cuda.cpp
M		src/USER-CUDA/pair_lj_smooth_cuda.h
M		src/USER-CUDA/pair_morse_cuda.cpp
M		src/USER-CUDA/pair_sw_cuda.cpp
M		src/USER-CUDA/pair_tersoff_cuda.cpp
M		src/USER-CUDA/pppm_cuda.cpp
M		src/USER-CUDA/pppm_cuda.h
M		src/USER-CUDA/pppm_old.h
V		src/USER-CUDA/{user_cuda.h ← cuda.h}
M		src/USER-CUDA/verlet_cuda.cpp
M		src/USER-OMP/pair_eam_alloy_omp.cpp
M		src/USER-OMP/pair_eam_fs_omp.cpp
M		src/accelerator_cuda.h
M		src/compute_property_atom.cpp
M		src/force.cpp
M		src/force.h
M		src/kspace.h
M		src/molecule.cpp
M		src/version.h

Merge remote-tracking branch 'lammps-ro/master' into lammps-icmsa05fa107d8ffActions

Description

Details

Event Timeline

Merged Changes

Changes (438)

rLAMMPSa05fa107d8ff

bench/FERMI/README

bench/README

doc/Manual.html

doc/Manual.txt

doc/Section_accelerate.html

doc/Section_accelerate.txt

doc/Section_start.html

doc/Section_start.txt

doc/accelerate_cuda.html

doc/accelerate_cuda.txt

doc/accelerate_gpu.html

doc/accelerate_gpu.txt

doc/accelerate_intel.html

doc/accelerate_intel.txt

doc/accelerate_kokkos.html

doc/accelerate_kokkos.txt

doc/accelerate_omp.html

doc/accelerate_omp.txt

doc/accelerate_opt.html

doc/accelerate_opt.txt

doc/fix.html

doc/fix.txt

doc/fix_qeq.html

doc/fix_qeq.txt

doc/fix_qeq_reax.html

doc/fix_qeq_reax.txt

examples/README

examples/accelerate/Make.list

examples/accelerate/README

examples/accelerate/data.phosphate

examples/accelerate/in.lc

examples/accelerate/in.lj

examples/accelerate/in.lj.5.0

examples/accelerate/in.phosphate

examples/accelerate/in.rhodo

examples/accelerate/log.lj.1Feb14.gpu.1

examples/accelerate/log.lj.1Feb14.gpu.4

examples/accelerate/log.lj.1Feb14.kokkos.cuda.1

examples/accelerate/log.lj.1Feb14.kokkos.cuda.2

examples/accelerate/log.lj.1Feb14.kokkos.omp.1

examples/accelerate/log.lj.1Feb14.kokkos.omp.4

examples/accelerate/log.lj.5.0.1Feb14.gpu.1

examples/accelerate/log.lj.5.0.1Feb14.gpu.4

examples/accelerate/log.phosphate.1Feb14.gpu.1

examples/accelerate/log.phosphate.1Feb14.gpu.4

examples/accelerate/log.rhodo.1Feb14.gpu.1

examples/accelerate/log.rhodo.1Feb14.gpu.4

examples/cuda

examples/cuda/README

examples/cuda/data.phosphate

examples/cuda/data.rhodo

examples/cuda/in.cuda.melt.2.5

examples/cuda/in.cuda.melt.5.0

examples/cuda/in.cuda.phosphate

examples/cuda/in.cuda.rhodo

examples/gpu

examples/gpu/README

examples/gpu/data.phosphate

examples/gpu/data.rhodo

examples/gpu/in.gpu.melt.2.5

examples/gpu/in.gpu.melt.5.0

examples/gpu/in.gpu.phosphate

examples/gpu/in.gpu.rhodo

examples/gpu/log.gpu.melt.2.5.1Feb14.linux.1

examples/gpu/log.gpu.melt.2.5.1Feb14.linux.4

examples/gpu/log.gpu.melt.5.0.1Feb14.linux.1

examples/gpu/log.gpu.melt.5.0.1Feb14.linux.4

examples/gpu/log.gpu.phosphate.1Feb14.linux.1

examples/gpu/log.gpu.phosphate.1Feb14.linux.4

examples/gpu/log.gpu.rhodo.1Feb14.linux.1

examples/gpu/log.gpu.rhodo.1Feb14.linux.4

examples/intel

examples/intel/README

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
a05fa107d8ff
Actions