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1b704bab18
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Merge branch 'colvars-safer-makefiles' of https://github.com/giacomofiorin/lammps into colvars-quickfix
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2017-07-20 15:59:23 -04:00 |
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c98f6140e7
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Change order of targets in Makefiles for Colvars
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2017-07-20 15:49:31 -04:00 |
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5031f5b807
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Comment out use by Colvars of Makefile.lammps from other packages
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2017-07-20 15:48:10 -04:00 |
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9d0d90c038
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README clarification from giacomo
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2017-07-20 15:25:27 -04:00 |
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66154e8a8b
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avoid makefile failure, if LAMMPS has not been configured yet
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2017-07-20 15:05:58 -04:00 |
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ef9fb944c7
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Detect number of processors for make
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2017-07-20 10:53:08 -04:00 |
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187a80be77
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Add forgotten decode() in Install.py
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2017-07-19 22:21:49 -04:00 |
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ee6cac826e
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Update Colvars to version 2017-07-15 and support automated builds for it
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2017-07-19 14:24:07 -04:00 |
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e30c5fc956
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Fixed shebang and renamed to lib/kim/Install.py
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2017-07-10 21:05:29 -05:00 |
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c29e8fba9b
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Updated lib/kim/README file to go along with new install.py
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2017-07-10 17:00:30 -05:00 |
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8d592f4b9e
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Finalized code for lib/kim/install.py
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2017-07-10 16:43:23 -05:00 |
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b0be8b24ea
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Further work on lib/kim/install.py
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2017-07-06 15:50:03 -05:00 |
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16fc2d6fe1
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Add install.py and update config for kim lib
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2017-07-06 15:49:58 -05:00 |
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d3c90f3c14
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Merge pull request #510 from akohlmey/collected-small-changes
Collected small changes
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2017-06-15 11:12:14 -06:00 |
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7227bc415d
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Merge pull request #526 from andeplane/vashishta_gpu
Implemented pair style vashishta in GPU package
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2017-06-15 08:52:13 -06:00 |
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d7646aeeed
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Fixed opencl error
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2017-06-14 12:03:47 +02:00 |
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5f9341813d
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Removed debug output
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2017-06-14 10:57:54 +02:00 |
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8441307185
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Removed non-general CUDA-dir in makefile
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2017-06-14 10:28:46 +02:00 |
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720af5c360
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Added vashishta to OpenCL makefile
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2017-06-14 10:27:52 +02:00 |
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eeff0b8633
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Added vashishta GPU package for NVidia
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2017-06-14 10:24:16 +02:00 |
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0ecdb99885
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fix uninitialized data access as reported by @martok in #174
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2017-06-08 13:50:17 -04:00 |
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00ce15d043
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Remove tpls dir
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2017-06-08 10:43:19 -06:00 |
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5c1d17d1c0
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Updating Kokkos lib to v2.03.05
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2017-06-08 10:42:08 -06:00 |
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f8af7edf92
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Merge remote-tracking branch 'upstream/master' into python_refactoring
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2017-05-06 16:00:22 -04:00 |
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fbddfe2729
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Merge pull request #455 from stanmoore1/kokkos_update
Updating Kokkos library to version 2.03.00
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2017-05-04 11:23:39 -06:00 |
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dcc5472cba
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Merge pull request #452 from akohlmey/small-fixes-and-updates
Small fixes and updates
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2017-05-04 11:23:23 -06:00 |
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addd87c0f7
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new Section package and start doc pages and build scripts
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2017-05-04 11:22:20 -06:00 |
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b8cb80b219
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rename files in GPU library from cg_cmm to lj_sdk
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2017-04-26 19:46:10 -04:00 |
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cd435c0c58
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change references from cg_cmm to lj_sdk and from cmm to sdk
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2017-04-26 19:44:25 -04:00 |
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cc6104aeaf
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Merge branch 'master' into kokkos_update
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2017-04-25 14:11:36 -06:00 |
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8910ec6e59
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Updating Kokkos lib to 2.03.00
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2017-04-25 13:48:51 -06:00 |
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25e8ed63a2
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whitespace cleanup in VMD plugin headers
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2017-04-18 11:46:19 -04:00 |
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dee3536144
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update VMD molfile plugin headers and move them to lib/molfile (where they belong)
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2017-04-18 11:42:31 -04:00 |
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3cbf4f3b58
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correct logic bug in else branch of the conditional
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2017-04-14 11:57:53 -04:00 |
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6c2dd7ebb1
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pass the name of the python interpreter compatible with the python package to 'make install-python'
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2017-04-14 11:44:36 -04:00 |
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9a027a01da
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Add Python 3 compatibility to PYTHON package
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2017-04-11 20:24:42 -04:00 |
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49dd9449b8
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fix gcmc updates from Aidan, trimming of output for replica commands
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2017-04-11 08:35:09 -06:00 |
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5fe6206638
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Update Colvars module to version 2017-03-10
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2017-03-10 09:16:58 -05:00 |
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e261bef7bb
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Spelling fixes in source files
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2017-03-05 18:30:39 -05:00 |
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90e5ae965d
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Add missing flags to Kokkos Makefile
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2017-02-13 11:19:46 -07:00 |
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33af7ab248
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Remove merge line
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2017-02-13 10:59:22 -07:00 |
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8f9b2aca06
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Removing unused files in Kokkos lib
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2017-02-13 10:53:51 -07:00 |
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383da816c2
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Updating Kokkos lib
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2017-02-13 10:50:34 -07:00 |
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d8bc590aaf
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Merge pull request #327 from stanmoore1/kokkos_lib_update
Updating Kokkos lib
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2017-01-17 09:04:12 -07:00 |
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7162cafdf5
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Squelching output from Makefile
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2017-01-10 14:46:30 -07:00 |
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ee9e7cfbd5
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Fixing Kokkos CUDA Makefile issue
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2017-01-10 13:22:36 -07:00 |
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7839c335da
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Fixing compile error with Kokkos CUDA Makefiles
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2017-01-10 13:05:00 -07:00 |
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c31f1e9f22
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add fix mscg command, example, lib
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2017-01-09 13:36:40 -07:00 |
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9250a55923
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Adding enable_lambda to KOKKOS_CUDA_OPTIONS
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2017-01-09 12:24:30 -07:00 |
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a9f0b7d523
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Updating Kokkos lib
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2017-01-09 10:39:46 -07:00 |
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