O

opt-mhm

Settings | Report Duplicate

1

I Use This!

Inactive

Commits : Listings

Analyzed 1 day ago. based on code collected 3 days ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Jun 07, 2025 — Jun 07, 2026 Showing page 1 of 2 Search / Filter on:
Print out only every 10 iterations	Tristan Bereau	More...				over 8 years ago
Larger LINESIZE	Tristan Bereau	More...				about 10 years ago
Bugfix: HREMD was using the wrong denominator + bootstrapping	Tristan Bereau	More...				almost 11 years ago
Wrong temp for umbrella sampling	Tristan Bereau	More...				almost 11 years ago
Bugfix: HREMD had the wrong prefactor coefficients	Tristan Bereau	More...				almost 11 years ago
bootstrap entropy: fixed bug when entropy is negative	Tristan Bereau	More...				over 15 years ago
weird bug with umbrella. Fixed.	Tristan Bereau	More...				over 15 years ago
fixed bug when performing bootstrap over free energy of coordinate	Tristan Bereau	More...				over 15 years ago
bugfix: bootstrap of microcanonical averages	Tristan Bereau	More...				over 15 years ago
added microcanonical average of order parameter Q1	Tristan Bereau	More...				over 15 years ago
umbrella bug was still there... fixed it	Tristan Bereau	More...				over 15 years ago
fixed bug for umbrella sampling analysis	Tristan Bereau	More...				over 15 years ago
bugfix: removed call to B_COORD1 when COORD1_FLAG==0	Tristan Bereau	More...				over 15 years ago
FIX bootstrap: initialize B_COORD only if COORD1_FLAG==1	Tristan Bereau	More...				over 15 years ago
removed debug output	Tristan Bereau	More...				over 15 years ago
bug fix: bootstrap was using original reaction coordinate rather than resampled	Tristan Bereau	More...				over 15 years ago
new option for PMF: set where F=0	Tristan Bereau	More...				almost 16 years ago
implemented bootstrap for COORD1_FLAG	Tristan Bereau	More...				almost 16 years ago
Added bootstrap with umbrella using SINH	Tristan Bereau	More...				almost 16 years ago
other bug in calc_prob_umbrella: call to FENERGIES_TEMP instead of FENERGIES	Tristan Bereau	More...				almost 16 years ago
fixed bug with SINH	Tristan Bereau	More...				almost 16 years ago
implemented SINH for umbrella	Tristan Bereau	More...				almost 16 years ago
fixed bootstrap umbrella bug	Tristan Bereau	More...				almost 16 years ago
tolerance for free energies lowered	Tristan Bereau	More...				almost 16 years ago
default boostrap file called 'bootstrap_error.dat'	Tristan Bereau	More...				almost 16 years ago
Added bootstrap for umbrella	Tristan Bereau	More...				almost 16 years ago
added umbrella potential support	Tristan Bereau	More...				almost 16 years ago
[FIX] sighandler kills program if NOT calculating free energies	Tristan Bereau	More...				about 16 years ago
[FIX] declaration of sighandler in .h	Tristan Bereau	More...				about 16 years ago
[FIX] write free energies to file	Tristan Bereau	More...				about 16 years ago

←
1
2
→