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alexxy/gromacs-domains.git
2022-01-13
Anatoly Titov
- changed back to how it was, everything was ok
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2022-01-13
Anatoly Titov
- changed how domains are registred
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2021-12-24
Anatoly Titov
- may be gmx namespace is needed
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2021-01-26
Anatoly
- potentially increased speed of parallel fitting
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2021-01-22
Anatoly
- added some performance tests
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2021-01-22
Anatoly
- changed data handle (potentially fastened) analyze...
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2020-11-10
Anatoly
- added indexFlag
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2020-11-09
Anatoly
- changed the order in domain.print() so the main group...
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2020-11-06
Anatoly
- temporary fix to output the main group (labeled C...
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2020-10-14
Anatoly
- swithced to prefix "++"
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2020-10-02
Anatoly
- optimised memory storage for domains
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2020-10-01
Anatoly
- small issues with print out data "lud" to "lu"
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2020-09-30
Anatoly
- changed requirement to c++17
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2020-09-29
Anatoly
- in general implemented "new" knowledge of C++
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2020-09-15
Anatoly
- deleted cout for eps
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2020-09-15
Anatoly
- fixed a misplaced cout
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2020-09-15
Anatoly
- test to figure out A' or nm
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2020-09-15
Anatoly
- fixed a bug in matrix filling
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2020-09-15
Anatoly
- changed to safer matrix fill
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2020-09-11
Anatoly
- removed cout output
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2020-09-11
Anatoly
- test cout
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2020-09-11
Anatoly
- added ".resize(0)" to first usage of vectors
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2020-09-11
Anatoly
- fixed a strange issue with vector resize
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2020-09-11
Anatoly
- removed extra .resize()
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2020-09-11
Anatoly
- fixed creation of a new window on a wrong frame number
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2020-09-11
Alexey Shvetsov
Add missing header
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2020-09-10
Anatoly
fixed 2 other includes
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2020-09-10
Anatoly
- fixed include
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2020-09-09
Anatoly
- changed "<=" to "<"
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2020-09-09
Anatoly
- added extra tests to check on different sized structures
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2020-08-13
Alexey Shvetsov
q/a
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2020-07-29
Anatoly
- optimized Fit/Domain tests to be more readable
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2020-07-29
Anatoly
- changed from RVec[0/1/2] to RVec(x, y, z)
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2020-07-24
Anatoly
- fixed a numeric issue where staring frame was not...
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2020-07-23
Anatoly
- added FRIEND_TEST(s) to domaintype.h
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2020-07-21
Anatoly
- changed "double" to "long double" for fit const
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2020-07-20
Anatoly
- some tests
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2020-07-17
Anatoly
- minor tests fixes
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2020-07-17
Anatoly
added gtest sources
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2020-07-16
Anatoly
- after a while "розгалужувачил" code into 2 extra...
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2020-07-16
Anatoly
- sorted input commands
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2020-07-15
Anatoly
Updated the code to work with the latest gromacs (with...
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2020-01-31
Anatoly
- minor updates
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2020-01-30
Anatoly
domain data class implementation
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2020-01-29
Anatoly
class debugging
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2020-01-28
Anatoly
implemented domainType class
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2019-11-20
Anatoly
- minor fixes
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2019-11-18
Anatoly
fixed memory overcommitment
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2019-10-29
Anatoly
still need to find THE bug
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2019-10-29
Anatoly
pre rebuild state
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2019-01-11
Anatoly Titov
reworked on RVec
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2019-01-11
Anatoly Titov
reworked on RVec
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2018-12-19
Anatoly Titov
minor fixes
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2017-06-06
Anatoly Titov
cleaned up for diploma
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2017-04-05
Anatoly Titov
added extra comments while finding domains
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2017-04-05
Anatoly Titov
added new domain searching algo (<=)
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2017-02-27
Anatoly Titov
changed the way frames are analyzed
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2017-02-20
Anatoly Titov
- changed the way data stored while work in progress
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2017-02-13
Anatoly Titov
changed saving method
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2017-02-06
Anatoly Titov
added selectable constants
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2016-12-22
Anatoly Titov
fixes
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2016-12-22
Alexey Shvetsov
OpenMP enable
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2016-12-22
Alexey Shvetsov
Add openmp
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2016-12-22
Anatoly Titov
more fixes
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2016-12-22
Anatoly Titov
more fixes
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2016-12-22
Anatoly Titov
fixed local misspellings
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2016-12-22
Anatoly Titov
remade writing output file function
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2016-12-22
Alexey Shvetsov
Initial version of gmx domains imported from domain...
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