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434c695e39
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re-instate Makefile.lammps
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2013-07-26 11:40:02 +02:00 |
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e6f6722365
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make USER-CUDA compile with current LAMMPS-ICMS
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2013-07-26 11:02:01 +02:00 |
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c7183e199a
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
lib/cuda/Makefile.lammps
src/MOLECULE/dihedral_charmm.cpp
src/pair.h
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2013-06-29 13:25:29 +02:00 |
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1cda7f63aa
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10166 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-28 19:32:18 +00:00 |
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bfbe995a9c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10165 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-28 19:30:58 +00:00 |
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c3c4b74504
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add final EOL character
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2013-06-28 16:38:50 +02:00 |
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1c337c837c
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permission cleanup
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2013-06-28 13:15:10 +02:00 |
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2b1e3a30bd
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
doc/fix_tune_kspace.txt
doc/group2ndx.txt
src/DIPOLE/atom_vec_dipole.cpp
src/DIPOLE/pair_lj_long_dipole_long.cpp
src/MOLECULE/atom_vec_angle.cpp
src/MOLECULE/atom_vec_bond.cpp
src/MOLECULE/atom_vec_full.cpp
src/MOLECULE/atom_vec_molecular.cpp
src/PERI/atom_vec_peri.cpp
src/USER-AWPMD/atom_vec_wavepacket.cpp
src/USER-COLVARS/README
src/USER-EFF/atom_vec_electron.cpp
src/USER-SPH/atom_vec_meso.cpp
src/atom.h
src/atom_vec_atomic.cpp
src/atom_vec_body.cpp
src/atom_vec_charge.cpp
src/atom_vec_ellipsoid.cpp
src/atom_vec_line.cpp
src/atom_vec_sphere.cpp
src/atom_vec_tri.cpp
src/fix_restrain.cpp
src/force.cpp
tools/restart2data.cpp
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2013-06-28 13:09:52 +02:00 |
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7b2f24f051
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yet another path fix for x-compile.
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2013-06-28 11:12:11 +02:00 |
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e801cc0f39
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one more time
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2013-06-28 10:44:45 +02:00 |
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2020a3abbb
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two more paths need to be corrected
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2013-06-28 10:27:28 +02:00 |
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016dac9c11
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update gpu tool makefile for changed paths
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2013-06-28 10:21:23 +02:00 |
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6c4e44ad0d
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correct path to MPICH mpi library
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2013-06-28 06:53:55 +02:00 |
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8dc2a751a0
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makefiles for building the GPU library
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2013-06-28 02:31:13 +02:00 |
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7e0fef793d
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updates for compiling LAMMPS on windows with OpenCL support
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2013-06-28 01:50:42 +02:00 |
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6dc2447695
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10119 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-27 22:48:40 +00:00 |
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4da20dce99
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10118 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-27 22:48:27 +00:00 |
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a5d55a6f76
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documentation update for colvars
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2013-06-27 20:26:10 +02:00 |
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8b031ab609
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10099 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-27 14:21:12 +00:00 |
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f5bec5011a
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port to current mingw package
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2013-06-27 14:57:55 +02:00 |
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eee639db2f
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start of setting up building the gpu library
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2013-06-26 15:41:32 +02:00 |
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50a03de73b
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remove outdated msm gpu library code
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2013-06-26 11:40:00 +02:00 |
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fb8e8d0646
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try to handle dependency generation for AtC better
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2013-06-25 14:13:11 +02:00 |
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d45dd25ce6
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add wrapper makefiles that allow to use non-MPI libraries and makefiles
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2013-06-25 11:50:00 +02:00 |
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98b8a2c4f7
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add MPI support for AtC library
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2013-06-25 11:25:50 +02:00 |
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c9a59e36f9
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handle adjustable storage sizes correctly
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2013-06-25 07:35:01 +02:00 |
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865b3d696b
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cross compilation support in AtC
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2013-06-25 07:22:17 +02:00 |
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2e5f2ba1e8
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port AWPMD to cross compilation with mingw
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2013-06-25 00:31:43 +02:00 |
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0024e1afc3
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import changes from colvars repo
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2013-06-23 14:49:38 +02:00 |
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6f48ddb24f
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provide meaningful log message when re-initializing masses
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2013-06-19 00:51:12 +02:00 |
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7d444dcb71
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more changes to support late initialization of masses
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2013-06-19 00:22:43 +02:00 |
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5a7dd0e74e
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import colvar module changes that allow resetting masses
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2013-06-18 23:13:31 +02:00 |
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9eeccbfffb
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update for building lib/meam with mingw cross compilers
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2013-06-14 20:59:52 +02:00 |
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6018567134
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tweak to colvarmodule output
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2013-06-14 12:19:40 +02:00 |
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8cd52ce9a9
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update colvars library
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2013-06-13 14:51:34 +02:00 |
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0b32ec3147
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remove comment within comment
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2013-06-11 09:17:10 +02:00 |
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0567f76d4c
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small updates/corrections from giacomo
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2013-06-11 06:16:49 +02:00 |
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e038893385
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whitespace fixes in colvars library
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2013-06-10 14:47:15 +02:00 |
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df0dcfd99b
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avoid spurious error on clean target
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2013-06-09 16:31:08 +02:00 |
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73452096d6
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fix compile error
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2013-06-09 16:26:34 +02:00 |
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e240e15c4d
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/USER-MISC/dihedral_nharmonic.cpp
src/USER-MISC/pair_lj_sf_dipole_sf.h
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2013-06-09 14:35:36 +02:00 |
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3e5c7ae60f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10053 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-08 21:43:17 +00:00 |
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3d664382ae
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update version number
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2013-06-07 14:43:39 +02:00 |
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df08be2f01
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update colvars library from github repo
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2013-06-07 14:39:17 +02:00 |
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916211df33
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updated the README with github URLs
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2013-06-07 14:33:47 +02:00 |
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6354d994c2
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ignore Makefile.lammps entries as they are generated
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2013-06-07 14:25:45 +02:00 |
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2a9ada3ce4
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update makefiles to reflect changes in the build procedure
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2013-06-07 14:25:01 +02:00 |
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a87e2f8709
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fix up build system
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2013-06-05 14:14:59 +02:00 |
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77ed62b93b
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update of colvars library
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2013-06-05 14:12:27 +02:00 |
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5da358bf54
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add makefiles for building 32-bit executables on 64-bit x86 Linux
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2013-06-01 18:34:50 +02:00 |
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