Loading doc/src/minimize.rst +1 −1 Original line number Diff line number Diff line Loading @@ -64,7 +64,7 @@ performed using a line search algorithm. The line search typically evaluates forces and energies several times to set new coordinates. Currently, a backtracking algorithm is used which may not be optimal in terms of the number of force evaluations performed, but appears to be more robust than previous line searches we've tried. The be more robust than previous line searches we have tried. The backtracking method is described in Nocedal and Wright's Numerical Optimization (Procedure 3.1 on p 41). Loading doc/utils/sphinx-config/false_positives.txt +13 −1 Original line number Diff line number Diff line Loading @@ -262,6 +262,7 @@ Boltzman BondAngle BondBond bondchk BondingIDs bondmax bondtype Bonet Loading Loading @@ -366,7 +367,8 @@ chemistries Chemnitz Cheng Chenoweth chiral ChiralIDs chiralIDs chirality Cho chris Loading Loading @@ -433,6 +435,7 @@ cond conda Conda Condens Connor conf config configfile Loading Loading @@ -564,6 +567,7 @@ defn deformable del delaystep DeleteIDs deleteIDs Dellago delocalization Loading Loading @@ -713,6 +717,7 @@ Ec ecoul ecp Ecut EdgeIDs edgeIDs edihed edim Loading Loading @@ -1050,6 +1055,7 @@ gpu gpuID gpus gradV GradVidottan graining Graining Grama Loading Loading @@ -1157,6 +1163,7 @@ Houlle howto Howto Hoyt Hs hstyle html hTST Loading Loading @@ -1388,6 +1395,7 @@ KDevelop ke KE Keblinski Keefe keflag Keir Kelchner Loading @@ -1410,6 +1418,7 @@ Klapp Kloss kmax Kmax KMP Knizhnik knl Kofke Loading Loading @@ -1578,6 +1587,7 @@ lmpqst lmpsdata Lmpsdata lmptype LMT ln localTemp localvectors Loading Loading @@ -2658,6 +2668,8 @@ Shi Shiga Shinoda shlib SHM shm shockvel si SiC Loading Loading
doc/src/minimize.rst +1 −1 Original line number Diff line number Diff line Loading @@ -64,7 +64,7 @@ performed using a line search algorithm. The line search typically evaluates forces and energies several times to set new coordinates. Currently, a backtracking algorithm is used which may not be optimal in terms of the number of force evaluations performed, but appears to be more robust than previous line searches we've tried. The be more robust than previous line searches we have tried. The backtracking method is described in Nocedal and Wright's Numerical Optimization (Procedure 3.1 on p 41). Loading
doc/utils/sphinx-config/false_positives.txt +13 −1 Original line number Diff line number Diff line Loading @@ -262,6 +262,7 @@ Boltzman BondAngle BondBond bondchk BondingIDs bondmax bondtype Bonet Loading Loading @@ -366,7 +367,8 @@ chemistries Chemnitz Cheng Chenoweth chiral ChiralIDs chiralIDs chirality Cho chris Loading Loading @@ -433,6 +435,7 @@ cond conda Conda Condens Connor conf config configfile Loading Loading @@ -564,6 +567,7 @@ defn deformable del delaystep DeleteIDs deleteIDs Dellago delocalization Loading Loading @@ -713,6 +717,7 @@ Ec ecoul ecp Ecut EdgeIDs edgeIDs edihed edim Loading Loading @@ -1050,6 +1055,7 @@ gpu gpuID gpus gradV GradVidottan graining Graining Grama Loading Loading @@ -1157,6 +1163,7 @@ Houlle howto Howto Hoyt Hs hstyle html hTST Loading Loading @@ -1388,6 +1395,7 @@ KDevelop ke KE Keblinski Keefe keflag Keir Kelchner Loading @@ -1410,6 +1418,7 @@ Klapp Kloss kmax Kmax KMP Knizhnik knl Kofke Loading Loading @@ -1578,6 +1587,7 @@ lmpqst lmpsdata Lmpsdata lmptype LMT ln localTemp localvectors Loading Loading @@ -2658,6 +2668,8 @@ Shi Shiga Shinoda shlib SHM shm shockvel si SiC Loading
