09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
bb7447363c
more include cleanup and IWYU tweaks
2020-09-04 07:22:39 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
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this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
1074884f74
Commit JT 110419
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- removed fmax uninitialized variable from min_cg.cpp
- removed tabs from comments
- initialized fdotf variables
2019-11-04 09:04:43 -07:00
d9306a5865
Commit JT 092419
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- added inf norm option
2019-09-24 13:58:56 -06:00
bc0ff0db61
Commit2 JT 092319
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- added enum to min.h (for norm choice)
- completed doc min_modify
- corrected torque tol issue in spin/min
2019-09-23 13:48:33 -06:00
c71e869a33
define params in creator as init is called after modify
2019-08-21 14:02:34 +00:00
b5621b2c90
Merge branch 'master' of github.com:alxvov/lammps into OSO
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Conflicts:
src/SPIN/neb_spin.cpp
2019-07-30 09:14:49 -06:00
c5b7a36eeb
Commit JT 072619
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- added a min_style option for norm type (euclidean or Max)
- adapted and tested spin minimizers
- adapted (net tested) regular minimizers
2019-07-26 17:33:49 -06:00
f0679cff6d
Commit JT 072319
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- added 2 oso examples in examples/SPIN/spinmin
- added doc for oso_cg and oso_lbfgs
2019-07-23 09:27:15 -06:00
89bfe4acf2
change convergence criteria in min_spin
2019-07-22 18:29:24 +00:00
ceb2ce5814
Merge branch 'master' into improve-include-consistency
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# Conflicts:
# src/USER-CGDNA/pair_oxdna2_stk.cpp
2019-07-19 13:26:00 -04:00
60ebc08d0f
Commit JT 071719
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- added doc for read_data spin
- corrected an error in pack/unpack data hybrid
- added mask flags in fix_nve_spin::initial_integrate
- removed spin renormalization in min_spin (was causing a bug)
2019-07-17 21:49:26 -06:00
416911aa7e
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
fd5bc857b2
calculate energy in the beginning only once
2019-07-02 17:03:15 +00:00
fc1d8f2cbf
more cleanup of include file handling. starting to work on files in packages
2019-07-02 05:15:30 -04:00
7b3f952990
whitespace cleanup and dead code removal
2019-03-25 20:50:39 -04:00
81a4d293db
Commit4 JT 032519
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- corrected documentation (errors in min_spin.txt and
min_modify.txt)
- changed the code accordingly
2019-03-25 15:43:58 -06:00
7a00997a14
Commit2 JT 032519
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- added equations for documentation
- updated examples (not calling fix nve/spin)
- replaced error message by warning in all pair/spin
2019-03-25 14:03:28 -06:00
a726362888
Commit JT 032519
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- adding all min files into new branch
- preparing branch for pull request of spin minimizer
2019-03-25 12:57:42 -06:00
