lammps:cebf6d33baa3c4b8f75fd76afabb553ae5b735be commits - 南方科技大学

Merge pull request #2358 from eagunn/iss2345

2020-09-15T17:41:24-04:00

Replace instances of NULL with nullptr

Merge pull request #2366 from akohlmey/msm-fix

2020-09-15T16:22:19-04:00

Apply alternate bugfix to KSpace style MSM that avoids grid level overflow

redo fix for class member shadowing while avoiding overflowing levels

2020-09-15T14:48:55-04:00

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

update comments

2020-09-15T14:19:40-04:00

Merge branch 'master' into iss2345

2020-09-15T14:06:16-04:00

Merge branch 'iss2345' of github.com:eagunn/lammps into iss2345

2020-09-15T14:04:16-04:00

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

Revert commit 14dfd3876ac4a53855804baa7f27abfb6a1a9d46 which walked-back

2020-09-14T12:05:46-06:00

the NULL->nullptr changes for lib/awpmd. Then, hand-applied a minor cleanup to comments, ala Axel's changes to the rest of the codebase.

Revert commit 05d41cd50de992fe806e4f4a3d8b42b6e39579a4 which walked-back

2020-09-14T12:05:46-06:00

the NULL->nullptr changes for lib/poems. Then, hand-applied a minor cleanup to comments, ala Axel's changes to the rest of the codebase.

fix up some comments

2020-09-14T12:05:45-06:00

update molfile plugin headers with latest versions from VMD

2020-09-14T12:05:45-06:00

T2345: After examining comments changed by batch conversion of NULL

2020-09-14T12:05:45-06:00

to nullptr, I've corrected a small number where it seemed clear that the previous NULL should have been either "NULL" (where the code is looking for a string with that value), or null char / null byte (where the comment is talking about the char/byte that terminates a c-style string). Also changed 6 places where the batch change had changed 'NULL ptr' to 'nullptr ptr'. Now they simply say 'nullptr'.