Printing Pairwise SP EFP Energies#14

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yhb8r4 wants to merge 43 commits intoilyak:masterfrom

Commits on Jun 3, 2018

Commits on Jun 4, 2018

Commits on Jun 5, 2018

Added state reversion, changed energy value being compared.
jialincheoh
committed

Commits on Jun 6, 2018

updated libefphelp with questions
jialincheoh
committed

Commits on Jun 15, 2018

Changed md run type to opt, Add some randomization to dispmag.
jialincheoh
committed

Commits on Jun 22, 2018

pairwise efp
yhb8r4
committed

Commits on Jun 25, 2018

removed print statements
yhb8r4
committed

Commits on Jul 23, 2018

Update mc.c
jialincheoh
authored

Commits on Jul 27, 2018

Commits on Aug 2, 2018

polarization from frag_i to frag_j and vice versa
Yen H Bui
committed
removed unnecessary files
Yen H Bui
committed
removed uncessary energy.c
Yen H Bui
committed

Commits on Aug 7, 2018

added new version of efpmd-mc
Yen H Bui
committed

Commits on Aug 8, 2018

tried to modify for loop for iterations
Yen H Bui
committed

Commits on Aug 12, 2018

Commits on Aug 15, 2018

Added debugging info and comments
jialincheoh
committed

Commits on Aug 16, 2018

modified for loop for randomization step
Yen H Bui
committed
Added debugging
jialincheoh
committed

Commits on Aug 17, 2018

Commits on Aug 18, 2018

fixed randomization issue. need to work on free calloc arrays in mc_state
Yen H Bui
committed
modified md_1.in in test directory
Yen H Bui
committed

Commits on Aug 23, 2018

Fixed memory overrun error
jialincheoh
committed

Commits on Aug 25, 2018

Added dispmag adjustment
jialincheoh
committed

Commits on Aug 30, 2018

removed profanity
Yen H Bui
committed

Commits on Sep 1, 2018

Commits on Sep 2, 2018

Commented out old dispmag adjustment. Refactored stepping to increment whether allowed or not. Only change energy if allowed. Adjust dispmag based on acceptance ratio.
jialincheoh
committed

Commits on Sep 6, 2018

added rand_init in randomization function in mc.c
Yen H Bui
committed

Commits on Oct 13, 2018

removed hardcoding for dispmag_modifier, dispmag_threshold, dispmag_threshold_modifier
Yen H Bui
committed
modified hardcode for debugging
Yen H Bui
committed

Commits on Nov 2, 2018

after jay conversation - added rand_init back
Yen H Bui
committed

Commits on Nov 7, 2018

Commits on Feb 8, 2019

called rand_init less
Yen H Bui
committed

Commits on Mar 4, 2019

modified mc_state struct by adding vec_t box
Yen H Bui
committed