diff --git a/CHANGES/v2.1.txt b/CHANGES/v2.1.txt
index 2a54238808f0e0164a8c8e32e1bdeb2ecf4cb32a..1f8077771203f71bcfc2dd3b863a00a744b1104c 100644
--- a/CHANGES/v2.1.txt
+++ b/CHANGES/v2.1.txt
@@ -237,6 +237,10 @@ For users:
processors per replica.
- Small change in numerical accuracy of lattice reduction. Should be more
robust when running with highly optimizing compilers.
-
+- Fixed a bug in normalisation of kernel functions. This affects \ref HISTOGRAM and \ref MULTICOLVARDENS
+ If these actions were used with previous versions of the code care should be taken when analysing the
+ results.
+- Fixed a bug in derivatives of kernel functions with non-diagonal covariances. This affects the
+ derivatives output by \ref sum_hills
*/
diff --git a/regtest/analysis/rt0/histoA.reference b/regtest/analysis/rt0/histoA.reference
index 11425019a9f1aa584941f61388daf5301c3fbaac..45a725456ca19b9d5cea54f03ac841af46b9c2e8 100644
--- a/regtest/analysis/rt0/histoA.reference
+++ b/regtest/analysis/rt0/histoA.reference
@@ -41,47 +41,47 @@
1.0500 0.0000
1.0800 0.0000
1.1100 0.0000
- 1.1400 0.0031
- 1.1700 0.0086
- 1.2000 0.0221
- 1.2300 0.0521
- 1.2600 0.1119
- 1.2900 0.2199
- 1.3200 0.3947
- 1.3500 0.6476
- 1.3800 0.9709
- 1.4100 1.3304
- 1.4400 1.6661
- 1.4700 1.9069
- 1.5000 1.9947
- 1.5300 1.9069
- 1.5600 1.6661
- 1.5900 1.3304
- 1.6200 0.9724
- 1.6500 0.6520
- 1.6800 0.4067
- 1.7100 0.2497
- 1.7400 0.1799
- 1.7700 0.1937
- 1.8000 0.2921
- 1.8300 0.4788
- 1.8600 0.7517
- 1.8900 1.0893
- 1.9200 1.4485
- 1.9500 1.7603
- 1.9800 1.9552
- 2.0100 1.9848
- 2.0400 1.8414
- 2.0700 1.5613
- 2.1000 1.2099
- 2.1300 0.8568
- 2.1600 0.5546
- 2.1900 0.3281
- 2.2200 0.1774
- 2.2500 0.0876
- 2.2800 0.0396
- 2.3100 0.0163
- 2.3400 0.0062
+ 1.1400 0.0009
+ 1.1700 0.0027
+ 1.2000 0.0070
+ 1.2300 0.0165
+ 1.2600 0.0354
+ 1.2900 0.0696
+ 1.3200 0.1249
+ 1.3500 0.2048
+ 1.3800 0.3070
+ 1.4100 0.4207
+ 1.4400 0.5269
+ 1.4700 0.6030
+ 1.5000 0.6308
+ 1.5300 0.6030
+ 1.5600 0.5269
+ 1.5900 0.4207
+ 1.6200 0.3075
+ 1.6500 0.2062
+ 1.6800 0.1286
+ 1.7100 0.0790
+ 1.7400 0.0569
+ 1.7700 0.0613
+ 1.8000 0.0924
+ 1.8300 0.1514
+ 1.8600 0.2377
+ 1.8900 0.3445
+ 1.9200 0.4580
+ 1.9500 0.5567
+ 1.9800 0.6183
+ 2.0100 0.6276
+ 2.0400 0.5823
+ 2.0700 0.4937
+ 2.1000 0.3826
+ 2.1300 0.2710
+ 2.1600 0.1754
+ 2.1900 0.1037
+ 2.2200 0.0561
+ 2.2500 0.0277
+ 2.2800 0.0125
+ 2.3100 0.0052
+ 2.3400 0.0019
2.3700 0.0000
2.4000 0.0000
2.4300 0.0000
diff --git a/regtest/analysis/rt0/histoB.reference b/regtest/analysis/rt0/histoB.reference
index 0facce1f608dbfad4d6f637ce120bf88ab7d1794..a550fd5bbed6b10ba1f8db02d0cfda588cca6412 100644
--- a/regtest/analysis/rt0/histoB.reference
+++ b/regtest/analysis/rt0/histoB.reference
@@ -41,47 +41,47 @@
1.0500 0.0000
1.0800 0.0000
1.1100 0.0000
- 1.1400 0.0027
- 1.1700 0.0077
- 1.2000 0.0199
- 1.2300 0.0469
- 1.2600 0.1008
- 1.2900 0.1979
- 1.3200 0.3553
- 1.3500 0.5829
- 1.3800 0.8740
- 1.4100 1.1975
- 1.4400 1.4997
- 1.4700 1.7165
- 1.5000 1.7954
- 1.5300 1.7165
- 1.5600 1.4997
- 1.5900 1.1975
- 1.6200 0.8756
- 1.6500 0.5877
- 1.6800 0.3684
- 1.7100 0.2307
- 1.7400 0.1755
- 1.7700 0.2027
- 1.8000 0.3169
- 1.8300 0.5250
- 1.8600 0.8262
- 1.8900 1.1981
- 1.9200 1.5931
- 1.9500 1.9362
- 1.9800 2.1505
- 2.0100 2.1830
- 2.0400 2.0253
- 2.0700 1.7172
- 2.1000 1.3307
- 2.1300 0.9424
- 2.1600 0.6100
- 2.1900 0.3609
- 2.2200 0.1951
- 2.2500 0.0964
- 2.2800 0.0435
- 2.3100 0.0180
- 2.3400 0.0068
+ 1.1400 0.0009
+ 1.1700 0.0024
+ 1.2000 0.0063
+ 1.2300 0.0149
+ 1.2600 0.0319
+ 1.2900 0.0626
+ 1.3200 0.1124
+ 1.3500 0.1843
+ 1.3800 0.2764
+ 1.4100 0.3787
+ 1.4400 0.4742
+ 1.4700 0.5428
+ 1.5000 0.5678
+ 1.5300 0.5428
+ 1.5600 0.4742
+ 1.5900 0.3787
+ 1.6200 0.2769
+ 1.6500 0.1859
+ 1.6800 0.1165
+ 1.7100 0.0730
+ 1.7400 0.0555
+ 1.7700 0.0641
+ 1.8000 0.1002
+ 1.8300 0.1660
+ 1.8600 0.2612
+ 1.8900 0.3789
+ 1.9200 0.5038
+ 1.9500 0.6123
+ 1.9800 0.6801
+ 2.0100 0.6903
+ 2.0400 0.6405
+ 2.0700 0.5430
+ 2.1000 0.4208
+ 2.1300 0.2980
+ 2.1600 0.1929
+ 2.1900 0.1141
+ 2.2200 0.0617
+ 2.2500 0.0305
+ 2.2800 0.0138
+ 2.3100 0.0057
+ 2.3400 0.0021
2.3700 0.0000
2.4000 0.0000
2.4300 0.0000
diff --git a/regtest/basic/rt44/fes.dat.reference b/regtest/basic/rt44/fes.dat.reference
index 5e54478dca0bc28f445936ba379bd57e29fa6d59..50544e404eff5a1e9a0b816c88f96174518d6f19 100644
--- a/regtest/basic/rt44/fes.dat.reference
+++ b/regtest/basic/rt44/fes.dat.reference
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diff --git a/regtest/basic/rt48/fes.dat.reference b/regtest/basic/rt48/fes.dat.reference
index f23a1930117e5ff3b7d4915a01998e96f7121449..e9b9a2cd3d5655b4c77b901f3ad70d076ef1d5c3 100644
--- a/regtest/basic/rt48/fes.dat.reference
+++ b/regtest/basic/rt48/fes.dat.reference
@@ -328,23 +328,23 @@
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@@ -2014,19 +2014,19 @@
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diff --git a/regtest/basic/rt49/fes.dat.reference b/regtest/basic/rt49/fes.dat.reference
index 0990205768465481154becb8a34e6d34f64e07ce..b931d057e8478893121d726f8b75c11ead2c84c7 100644
--- a/regtest/basic/rt49/fes.dat.reference
+++ b/regtest/basic/rt49/fes.dat.reference
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diff --git a/regtest/basic/rt52/negativebias.dat.reference b/regtest/basic/rt52/negativebias.dat.reference
index 2c90ccafca686269002effdad1a292b5309dc097..a803cd9a838c4a43789b8d20695969887d288c3a 100644
--- a/regtest/basic/rt52/negativebias.dat.reference
+++ b/regtest/basic/rt52/negativebias.dat.reference
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+ -0.838 1.676 -0.001 0.011 0.011
+ -0.628 1.676 -0.000 0.000 0.000
-0.419 1.676 -0.000 -0.000 -0.000
-0.209 1.676 -0.000 -0.000 -0.000
0.000 1.676 -0.000 -0.000 -0.000
@@ -754,16 +754,16 @@
-3.142 1.885 -0.000 -0.000 -0.000
-2.932 1.885 -0.000 -0.000 -0.000
-2.723 1.885 -0.000 -0.000 -0.000
- -2.513 1.885 -0.000 0.000 -0.000
- -2.304 1.885 -0.002 0.026 -0.013
- -2.094 1.885 -0.023 0.220 -0.224
- -1.885 1.885 -0.094 0.368 -1.142
- -1.676 1.885 -0.119 -0.197 -1.728
- -1.466 1.885 -0.048 -0.336 -0.806
- -1.257 1.885 -0.006 -0.077 -0.123
- -1.047 1.885 -0.000 -0.005 -0.007
- -0.838 1.885 -0.000 -0.000 -0.000
- -0.628 1.885 -0.000 -0.000 -0.000
+ -2.513 1.885 -0.000 -0.000 0.000
+ -2.304 1.885 -0.002 -0.026 0.013
+ -2.094 1.885 -0.023 -0.220 0.224
+ -1.885 1.885 -0.094 -0.368 1.142
+ -1.676 1.885 -0.119 0.197 1.728
+ -1.466 1.885 -0.048 0.336 0.806
+ -1.257 1.885 -0.006 0.077 0.123
+ -1.047 1.885 -0.000 0.005 0.007
+ -0.838 1.885 -0.000 0.000 0.000
+ -0.628 1.885 -0.000 0.000 0.000
-0.419 1.885 -0.000 -0.000 -0.000
-0.209 1.885 -0.000 -0.000 -0.000
0.000 1.885 -0.000 -0.000 -0.000
diff --git a/src/tools/KernelFunctions.cpp b/src/tools/KernelFunctions.cpp
index a96ce9ccb7bfd658b47e6cc90c30055d3ebedb8f..cff8308fb89456ea0d6afe8654918ecd9e281251 100644
--- a/src/tools/KernelFunctions.cpp
+++ b/src/tools/KernelFunctions.cpp
@@ -118,7 +118,6 @@ width(sig)
}
double volume;
if( ktype==gaussian ){
- for(unsigned i=0;i<width.size();++i) det*=width[i];
volume=pow( 2*pi, 0.5*ncv ) * pow( det, 0.5 );
} else if( ktype==uniform || ktype==triangular ){
if( ncv%2==1 ){
@@ -202,10 +201,10 @@ double KernelFunctions::evaluate( const std::vector<Value*>& pos, std::vector<do
Matrix<double> mymatrix( getMatrix() );
for(unsigned i=0;i<mymatrix.nrows();++i){
double dp_i, dp_j; derivatives[i]=0;
- dp_i=pos[i]->difference( center[i] );
+ dp_i=-pos[i]->difference( center[i] );
for(unsigned j=0;j<mymatrix.ncols();++j){
if(i==j) dp_j=dp_i;
- else dp_j=pos[j]->difference( center[j] );
+ else dp_j=-pos[j]->difference( center[j] );
derivatives[i]+=mymatrix(i,j)*dp_j;
r2+=dp_i*dp_j*mymatrix(i,j);