lammps:71ce1c20274d373b4312171d8f4ef95921a16a7c commits - 南方科技大学

use cube() and square() from math_special.h instead of pow(x,3.0) and pow(x,2.0)

2019-08-05T23:25:06-04:00

better error messages on accessing invalid IDs in variable expressions

2019-08-05T23:17:38-04:00

Merge pull request #1615 from akohlmey/next_version

2019-08-05T19:13:17-04:00

Step version string for stable release

Merge pull request #1619 from ellio167/kim-doc-update

2019-08-05T17:39:40-04:00

Update kim query url in docs

cannot forced enable FFMpeg and gzip on windows yet.

2019-08-05T16:59:18-04:00

Step version string for stable release

2019-08-05T16:58:26-04:00

Merge pull request #1616 from akohlmey/fixes-for-stable

2019-08-05T16:48:50-04:00

Collected small fixes for stable release

Merge pull request #1617 from rbberger/cmake_docs_additions

2019-08-05T16:36:48-04:00

Mention LAMMPS_LIB_SUFFIX in docs

Merge pull request #1618 from giacomofiorin/colvars-update

2019-08-05T16:36:16-04:00

Bugfix for Colvars library (update to version 2019-08-05)

Update kim query url in docs

2019-08-05T15:23:57-05:00

Fix typo

2019-08-05T14:59:40-04:00

Bugfix for Colvars library (update to version 2019-08-05)

2019-08-05T14:14:33-04:00

Bugfix for group2CenterOnly (coordNum option): https://github.com/Colvars/colvars/pull/278

Mention LAMMPS_LIB_SUFFIX in docs

2019-08-05T14:00:56-04:00

Merge pull request #1613 from rbberger/cmake_docs_update

2019-08-04T18:32:11-04:00

Update CMake documentation

CMake tweaks to improve building LAMMPS for windows with mingw on Linux

2019-08-04T18:28:26-04:00

Added one-liner for HTML-only docs in Build.txt

2019-08-03T15:17:18-04:00

minor tweak for consistency

2019-08-03T11:16:55-04:00

tweaks for Linux to Windows cross-compilation

2019-08-03T11:16:14-04:00

sched_getaffinity() is a Linux specific system call. add preprocessor guards

2019-08-03T10:38:41-04:00

use KIM-API 2.1.2 consistently with CMake and conventional build system

2019-08-03T06:40:31-04:00

restore accidentally deleted text

2019-08-02T18:44:40-04:00

Update false_positives.txt

2019-08-02T17:35:26-04:00

Update CMake documentation

2019-08-02T17:04:59-04:00

Merge pull request #1612 from akohlmey/new_version

2019-08-02T14:27:13-04:00

Step version string for next patch release

Merge pull request #1603 from eagunn/iss1572clean

2019-08-02T10:43:30-04:00

Iss1572clean: Clean fix for error handling, clarify data requirements for fix bocs input

Merge pull request #1607 from giacomofiorin/colvars-update

2019-08-02T10:43:13-04:00

Update Colvars to version 2019-08-01

Merge pull request #1608 from wmbrownIntel/intel-eam-eatom-fix

2019-08-02T10:42:54-04:00

Bug fix for eam/intel per-atom energy calculation.

Merge pull request #1610 from wmbrownIntel/intel-ncache-alias-fix

2019-08-02T10:42:37-04:00

Bug fixes for use of uninitialized variable and strict-aliasing in USER-INTEL

Merge pull request #1611 from evoyiatzis/patch-1

2019-08-02T10:42:20-04:00

small clean-up of fix.txt

Merge pull request #1604 from akohlmey/timeout-for-replica

2019-08-02T10:41:44-04:00

Add support for timeouts to temper commands and a few small fixes

Changed the code in the read_F_table function to conform to the "expected...

2019-08-02T08:46:04-04:00

Changed the code in the read_F_table function to conform to the "expected behavior" description in #1572. Adopted a best-of-both-worlds approach, though, and processed the whole input file all the way through, emitting a message for each problem found, before issuing a final error message to stop processing. Updated doc to clarify requirement for uniform spacing of pressure correction points.

add some more descriptions for fixes to list of style in fix command docs

2019-08-02T08:41:34-04:00

fix typo

2019-08-02T08:40:59-04:00

Step version string for next patch release

2019-08-02T05:15:29-04:00

small clean-up of fix.txt

2019-08-02T10:55:18+02:00

add missing parenthesis

2019-08-01T20:43:33-04:00

use check_language() instead of enable_language() to get fortran compiler name

2019-08-01T18:24:14-04:00

Merge branch 'master' into timeout-for-replica

2019-08-01T16:56:49-04:00

workaround for xcode oddity with compiling voro++

2019-08-01T16:42:52-04:00

Update Colvars to version 2019-08-01

2019-08-01T15:15:58-04:00

One new feature (geometric path variables) and bugfixes. Minimize occurrence of file-read errors in multiple-walker metadynamics https://github.com/Colvars/colvars/pull/276 Better error messages for RMSD https://github.com/Colvars/colvars/pull/272 Ensemble-biased metadynamics documentation https://github.com/Colvars/colvars/pull/261 Fix bug on multiple walkers metadynamics, pmf included twice https://github.com/Colvars/colvars/pull/259 Implementation of the geometric path collective variables (C++11-only feature) https://github.com/Colvars/colvars/pull/249