Revert "fix issue with local variable shadowing a global variable"

2020-09-15T14:42:00-04:00

This reverts commit .

Merge pull request #2363 from akohlmey/consistent-memory-usage

2020-09-15T14:21:07-04:00

Make memory usage reporting consistent

Merge pull request #2364 from akohlmey/force-test-bugfix

2020-09-15T13:40:13-04:00

Force style unit test template bugfix

reformulate

2020-09-15T12:32:43-04:00

add unit test for lammps_memory_usage()

2020-09-15T12:29:03-04:00

Merge branch 'master' into consistent-memory-usage

2020-09-15T12:25:16-04:00

Merge pull request #2362 from akohlmey/library-progguide

2020-09-15T11:51:02-04:00

Updates to C-Library interface progammer guide and reference

Merge pull request #2361 from akohlmey/collected-small-changes

2020-09-15T11:28:25-04:00

Collected small changes for the next patch release

detect if dt has been changed from default and print warning if reset by unit...

2020-09-15T10:50:44-04:00

add test for missing quartic bond style

2020-09-15T10:12:18-04:00

don't update per-atom pair data if not available

2020-09-15T10:12:07-04:00

update epsilon

2020-09-15T09:55:58-04:00

fix bug in input script templates that would have the timestep setting...

2020-09-15T09:46:57-04:00

fix bug in input script templates that would have the timestep setting overwritten by a units command

add library interface to retrieve memory usage info

2020-09-15T01:59:58-04:00

consolidate memory allocation information into a single function (in Info)

2020-09-15T01:59:58-04:00

consistently return "memory_usage" as double.

2020-09-15T01:59:58-04:00

add cross reference

2020-09-14T21:03:39-04:00

test lammps_extract_settings()

2020-09-14T20:53:19-04:00

complete tests for extracting and resetting the box

2020-09-14T20:27:29-04:00

make naming more consistent

2020-09-14T20:27:10-04:00

fix typo

2020-09-14T17:39:31-04:00

add false positive

2020-09-14T17:18:14-04:00

correct formatting of examples

2020-09-14T17:15:53-04:00

update lammps config settings calls example

2020-09-14T17:11:27-04:00

fix for zstd support. add styles to list at top and document .zst extension r...

2020-09-14T17:07:09-04:00

test for exceptions add example

2020-09-14T17:01:28-04:00

complete testing for LAMMPS configuration queries

2020-09-14T14:56:56-04:00

more tests for properties and configuration

2020-09-14T14:25:17-04:00

cosmetic

2020-09-14T14:24:34-04:00

Merge pull request #2354 from stanmoore1/qeq_refactor

2020-09-14T12:18:32-04:00

small fix qeq/reax refactoring for base and accelerated variants

update prototype to allow constant strings

2020-09-14T12:17:49-04:00

add tests for lammps configuration introspection via library interface

2020-09-14T12:17:24-04:00

fix bug in lammps_has_style()

2020-09-14T12:16:53-04:00

add missing option

2020-09-14T09:27:49-04:00

tweak minimize summary output format

2020-09-14T09:09:22-04:00

take back too eager change

2020-09-13T17:20:29-04:00

skip test if atom style is missing

2020-09-13T17:12:21-04:00

use more const char pointers

2020-09-13T17:12:11-04:00

update c-library tests

2020-09-13T17:02:32-04:00

add properties example

2020-09-13T17:00:08-04:00