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lammps/lib/qmmm
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CommitAuthorDetailsCommitted
688d865dafa2Axel Kohlmeyer
make QM/MM binary compilation compatible with update library build procedure in… 
Feb 19 2016
6b8b7c14a64bAxel Kohlmeyer
compile qm/mm library with -fPIC to be compatible with shared library builds 
Jun 29 2015
e88b2465e783Axel Kohlmeyer
various little updates and local changes 
Jun 15 2014
e29324f4494bAxel Kohlmeyer
Updated the QM/MM library readme file to contain more detailed explanations of… 
Apr 5 2014
ce7397773269Axel Kohlmeyer
some clarifications to QM/MM interface code 
Apr 1 2014
1075b8356b66Axel Kohlmeyer
add README file for qmmm lib. 
Oct 11 2013
2c5dc25d0548Axel Kohlmeyer
update to ignore non-existing include files 
Oct 11 2013
2f8acde01773Axel Kohlmeyer
remove unsupported files 
Oct 11 2013
cddfed139657Axel Kohlmeyer
input file cleanup 
Oct 11 2013
1f79cdb91370Axel Kohlmeyer
include EXTRAMAKE definition 
Oct 11 2013
e3d406a7d6b8Axel Kohlmeyer
integrate QM/MM toplevel code into the distribution 
Oct 11 2013
494f11d42a07Axel Kohlmeyer
import QM/MM example input for mechanical coupling 
Oct 11 2013
0aad8f682d46Axel Kohlmeyer
fix bug in parser for verbose flag 
Oct 11 2013
5373ea31f114Axel Kohlmeyer
add verbose flag 
Oct 10 2013
c787e982704fAxel Kohlmeyer
include output of working directories and properly export the write API 
Oct 10 2013
4d8913a6f7acAxel Kohlmeyer
add API for writing out the configuration and handle overwriting flags cleanly 
Oct 10 2013
c1b6c3528a6dAxel Kohlmeyer
add comments to qm/mm library 
Oct 6 2013
2c726d2de9b1Axel Kohlmeyer
put global qm/mm configuration variable into library 
Oct 2 2013
4a29c877f44aAxel Kohlmeyer
add qmmm library support 
Oct 2 2013
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